[ { "id": "swarm_intelligence_coordinator_lab.py", "name": "Swarm Intelligence Coordinator", "description": "Swarm Intelligence Coordinator\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "nanotechnology_lab.py", "name": "Nanotechnology", "description": "Nanomaterial design and simulation", "capabilities": [ { "tool_name": "simulate_nanoparticle_synthesis", "args": [ "size_nm", "temperature_c" ], "doc": "Simulate nanoparticle synthesis" }, { "tool_name": "calculate_surface_properties", "args": [ "diameter_nm" ], "doc": "Calculate surface area and properties" }, { "tool_name": "predict_quantum_confinement", "args": [ "size_nm", "material" ], "doc": "Predict quantum confinement effects" } ] }, { "id": "biomedical_engineering_lab.py", "name": "Biomedical Engineering", "description": "Comprehensive biomedical engineering calculations including:\n- Biomechanics calculations\n- Drug delivery modeling\n- Medical device analysis\n- Tissue engineering parameters\n- Biosignal processing\n- Implant design criteria", "capabilities": [ { "tool_name": "stress_strain_bone", "args": [ "stress", "strain_rate" ], "doc": "Calculate bone mechanical response with viscoelastic effects\n\nArgs:\n stress: Applied stress in Pa\n strain_rate: Strain rate in 1/s\n\nReturns:\n Dictionary with strain, safety factor, and viscoelastic modulus" }, { "tool_name": "wolff_law_remodeling", "args": [ "strain", "time_days" ], "doc": "Calculate bone remodeling response using Wolff's Law\n\nArgs:\n strain: Mechanical strain (dimensionless)\n time_days: Time period in days\n\nReturns:\n Bone density change as fraction" }, { "tool_name": "joint_force_analysis", "args": [ "body_weight", "activity" ], "doc": "Calculate joint reaction forces for different activities\n\nArgs:\n body_weight: Body weight in N\n activity: Type of activity ('standing', 'walking', 'running', 'jumping')\n\nReturns:\n Dictionary with joint forces for hip, knee, and ankle" }, { "tool_name": "muscle_force_length", "args": [ "length_ratio" ], "doc": "Calculate muscle force using force-length relationship\n\nArgs:\n length_ratio: Current length / optimal length\n\nReturns:\n Force as fraction of maximum (0-1)" }, { "tool_name": "hill_muscle_model", "args": [ "velocity", "max_velocity", "max_force" ], "doc": "Calculate muscle force using Hill's muscle model\n\nArgs:\n velocity: Contraction velocity in m/s (negative for shortening)\n max_velocity: Maximum shortening velocity in m/s\n max_force: Maximum isometric force in N\n\nReturns:\n Force in N" }, { "tool_name": "drug_diffusion_tissue", "args": [ "concentration_surface", "distance", "time", "diffusivity" ], "doc": "Calculate drug concentration in tissue using Fick's law\n\nC(x,t) = C0 * erfc(x / (2*\u221a(D*t)))\n\nArgs:\n concentration_surface: Surface concentration in mol/m\u00b3\n distance: Distance from surface in meters\n time: Time in seconds\n diffusivity: Diffusion coefficient in m\u00b2/s\n\nReturns:\n Concentration at given distance and time in mol/m\u00b3" }, { "tool_name": "compartment_model_pk", "args": [ "dose", "volume", "clearance", "time", "ka" ], "doc": "Calculate drug concentration using one-compartment pharmacokinetic model\n\nArgs:\n dose: Drug dose in mg\n volume: Volume of distribution in L\n clearance: Clearance rate in L/h\n time: Time array in hours\n ka: Absorption rate constant in 1/h (for oral administration)\n\nReturns:\n Concentration array in mg/L" }, { "tool_name": "drug_release_matrix", "args": [ "initial_loading", "diffusivity", "matrix_thickness", "time" ], "doc": "Calculate drug release from polymer matrix (Higuchi model)\n\nM_t = A * \u221a(D * (2C0 - Cs) * Cs * t)\n\nArgs:\n initial_loading: Initial drug concentration in matrix (kg/m\u00b3)\n diffusivity: Drug diffusivity in matrix (m\u00b2/s)\n matrix_thickness: Matrix thickness in meters\n time: Time array in seconds\n\nReturns:\n Cumulative drug release array (fraction)" }, { "tool_name": "michaelis_menten_kinetics", "args": [ "substrate", "vmax", "km" ], "doc": "Calculate enzyme reaction rate using Michaelis-Menten kinetics\n\nv = Vmax * [S] / (Km + [S])\n\nArgs:\n substrate: Substrate concentration in mol/L\n vmax: Maximum reaction velocity in mol/(L\u00b7s)\n km: Michaelis constant in mol/L\n\nReturns:\n Reaction rate in mol/(L\u00b7s)" }, { "tool_name": "oxygen_transport_krogh", "args": [ "capillary_po2", "radius", "consumption_rate" ], "doc": "Calculate tissue oxygen tension using Krogh cylinder model\n\nArgs:\n capillary_po2: Capillary oxygen partial pressure in Pa\n radius: Distance from capillary center in meters\n consumption_rate: Oxygen consumption rate in mol/(m\u00b3\u00b7s)\n\nReturns:\n Tissue oxygen partial pressure in Pa" }, { "tool_name": "blood_flow_resistance", "args": [ "vessel_radius", "vessel_length", "viscosity", "flow_rate" ], "doc": "Calculate vascular resistance and pressure drop (Poiseuille's law)\n\nR = 8\u03bcL/(\u03c0r\u2074)\n\nArgs:\n vessel_radius: Vessel radius in meters\n vessel_length: Vessel length in meters\n viscosity: Blood viscosity in Pa\u00b7s\n flow_rate: Flow rate in m\u00b3/s\n\nReturns:\n Dictionary with resistance and pressure drop" }, { "tool_name": "wall_shear_stress", "args": [ "flow_rate", "vessel_radius", "viscosity" ], "doc": "Calculate wall shear stress in blood vessel\n\n\u03c4_wall = 4\u03bcQ/(\u03c0r\u00b3)\n\nArgs:\n flow_rate: Blood flow rate in m\u00b3/s\n vessel_radius: Vessel radius in meters\n viscosity: Blood viscosity in Pa\u00b7s\n\nReturns:\n Wall shear stress in Pa" }, { "tool_name": "windkessel_model", "args": [ "pressure_in", "resistance", "compliance", "time_step" ], "doc": "Calculate arterial pressure using two-element Windkessel model\n\nArgs:\n pressure_in: Input pressure array in Pa\n resistance: Peripheral resistance in Pa\u00b7s/m\u00b3\n compliance: Arterial compliance in m\u00b3/Pa\n time_step: Time step in seconds\n\nReturns:\n Output pressure array in Pa" }, { "tool_name": "ecg_signal_features", "args": [ "ecg_signal", "sampling_rate" ], "doc": "Extract features from ECG signal\n\nArgs:\n ecg_signal: ECG signal array in mV\n sampling_rate: Sampling frequency in Hz\n\nReturns:\n Dictionary with heart rate, QRS duration, etc." }, { "tool_name": "fourier_transform_biosignal", "args": [ "signal", "sampling_rate" ], "doc": "Perform FFT on biosignal and extract frequency components\n\nArgs:\n signal: Biosignal array\n sampling_rate: Sampling frequency in Hz\n\nReturns:\n Dictionary with frequencies and power spectrum" }, { "tool_name": "filter_biosignal", "args": [ "signal", "sampling_rate", "low_cutoff", "high_cutoff", "order" ], "doc": "Apply Butterworth filter to biosignal\n\nArgs:\n signal: Input signal array\n sampling_rate: Sampling frequency in Hz\n low_cutoff: High-pass cutoff frequency in Hz\n high_cutoff: Low-pass cutoff frequency in Hz\n order: Filter order\n\nReturns:\n Filtered signal array" }, { "tool_name": "implant_stress_shielding", "args": [ "implant_modulus", "bone_modulus" ], "doc": "Calculate stress shielding factor for orthopedic implant\n\nArgs:\n implant_modulus: Implant Young's modulus in Pa\n bone_modulus: Bone Young's modulus in Pa\n\nReturns:\n Stress shielding factor (0=no shielding, 1=complete shielding)" }, { "tool_name": "biocompatibility_index", "args": [ "cytotoxicity", "protein_adsorption", "cell_adhesion", "inflammatory_response" ], "doc": "Calculate overall biocompatibility index (0-100)\n\nArgs:\n cytotoxicity: Cell viability (0-1, 1=no toxicity)\n protein_adsorption: Protein binding (0-1, optimal ~0.5)\n cell_adhesion: Cell attachment (0-1, 1=excellent)\n inflammatory_response: Inflammation (0-1, 0=no inflammation)\n\nReturns:\n Biocompatibility index (0-100)" }, { "tool_name": "tissue_scaffold_porosity", "args": [ "pore_size", "scaffold_thickness", "diffusion_required" ], "doc": "Calculate optimal scaffold porosity for tissue engineering\n\nArgs:\n pore_size: Average pore diameter in meters\n scaffold_thickness: Scaffold thickness in meters\n diffusion_required: Required nutrient diffusion rate in m\u00b2/s\n\nReturns:\n Dictionary with porosity, permeability, and cell capacity" }, { "tool_name": "cell_growth_logistic", "args": [ "initial_cells", "growth_rate", "carrying_capacity", "time" ], "doc": "Model cell population growth using logistic equation\n\nN(t) = K / (1 + ((K-N0)/N0) * exp(-rt))\n\nArgs:\n initial_cells: Initial cell count\n growth_rate: Growth rate constant in 1/day\n carrying_capacity: Maximum cell count\n time: Time array in days\n\nReturns:\n Cell count array" }, { "tool_name": "bioreactor_oxygen_transfer", "args": [ "flow_rate", "volume", "kla", "oxygen_saturation", "consumption_rate" ], "doc": "Calculate steady-state oxygen concentration in bioreactor\n\nArgs:\n flow_rate: Gas flow rate in L/min\n volume: Bioreactor volume in L\n kla: Oxygen transfer coefficient in 1/h\n oxygen_saturation: Saturation concentration in mg/L\n consumption_rate: Cell oxygen consumption in mg/(L\u00b7h)\n\nReturns:\n Steady-state dissolved oxygen in mg/L" } ] }, { "id": "cryptography_lab.py", "name": "Cryptography", "description": "Comprehensive cryptography laboratory with modern encryption algorithms", "capabilities": [ { "tool_name": "is_prime", "args": [ "n", "k" ], "doc": "Miller-Rabin primality test\nTime: O(k log\u00b3 n)" }, { "tool_name": "generate_prime", "args": [ "bits" ], "doc": "Generate a prime number with specified bit length" }, { "tool_name": "extended_gcd", "args": [ "a", "b" ], "doc": "Extended Euclidean algorithm\nReturns (gcd, x, y) such that ax + by = gcd(a, b)" }, { "tool_name": "mod_inverse", "args": [ "a", "m" ], "doc": "Find modular multiplicative inverse of a mod m" }, { "tool_name": "generate_rsa_keypair", "args": [ "key_size" ], "doc": "Generate RSA public/private key pair\nTime: O(n\u00b3) where n is key size in bits" }, { "tool_name": "rsa_encrypt", "args": [ "message", "key" ], "doc": "Encrypt message using RSA public key" }, { "tool_name": "rsa_decrypt", "args": [ "ciphertext", "key" ], "doc": "Decrypt ciphertext using RSA private key" }, { "tool_name": "rsa_sign", "args": [ "message_hash", "key" ], "doc": "Create RSA signature of message hash" }, { "tool_name": "rsa_verify", "args": [ "message_hash", "signature", "key" ], "doc": "Verify RSA signature" }, { "tool_name": "aes_key_expansion", "args": [ "key" ], "doc": "Expand AES key for all rounds\nSupports 128, 192, 256-bit keys" }, { "tool_name": "aes_encrypt_block", "args": [ "block", "expanded_key" ], "doc": "Encrypt single AES block (simplified version for demonstration)\nReal implementation would include MixColumns, ShiftRows" }, { "tool_name": "aes_cbc_encrypt", "args": [ "plaintext", "key", "iv" ], "doc": "AES-CBC mode encryption\nAdds PKCS7 padding" }, { "tool_name": "sha256", "args": [ "data" ], "doc": "SHA-256 hash function\nReturns 256-bit hash" }, { "tool_name": "sha3_256", "args": [ "data" ], "doc": "SHA3-256 hash function (Keccak)\nMore resistant to length extension attacks" }, { "tool_name": "blake2b", "args": [ "data", "key" ], "doc": "BLAKE2b hash function\nFaster than SHA-2, as secure as SHA-3" }, { "tool_name": "hmac_sha256", "args": [ "key", "message" ], "doc": "HMAC-SHA256 for message authentication\nProvides integrity and authenticity" }, { "tool_name": "pbkdf2", "args": [ "password", "salt", "iterations" ], "doc": "PBKDF2 key derivation function\nUsed for password hashing" }, { "tool_name": "merkle_tree_root", "args": [ "leaves" ], "doc": "Calculate Merkle tree root hash\nUsed in blockchain and distributed systems" }, { "tool_name": "create_signature", "args": [ "message", "private_key", "algorithm" ], "doc": "Create digital signature for message" }, { "tool_name": "verify_signature", "args": [ "message", "signature", "public_key" ], "doc": "Verify digital signature" }, { "tool_name": "diffie_hellman_generate_params", "args": [ "key_size" ], "doc": "Generate Diffie-Hellman parameters (prime p and generator g)" }, { "tool_name": "diffie_hellman_generate_keypair", "args": [ "p", "g" ], "doc": "Generate Diffie-Hellman key pair\nReturns (private_key, public_key)" }, { "tool_name": "diffie_hellman_compute_shared", "args": [ "other_public", "my_private", "p" ], "doc": "Compute shared secret in Diffie-Hellman" }, { "tool_name": "elliptic_curve_add", "args": [ "p1", "p2", "a", "p" ], "doc": "Add two points on elliptic curve y\u00b2 = x\u00b3 + ax + b (mod p)\nSimplified version for demonstration" }, { "tool_name": "rc4", "args": [ "key", "data" ], "doc": "RC4 stream cipher (for educational purposes only - not secure)" }, { "tool_name": "chacha20_quarter_round", "args": [ "a", "b", "c", "d" ], "doc": "ChaCha20 quarter round operation\nModern stream cipher by D. J. Bernstein" }, { "tool_name": "generate_random_key", "args": [ "size" ], "doc": "Generate cryptographically secure random key" }, { "tool_name": "constant_time_compare", "args": [ "a", "b" ], "doc": "Constant-time comparison to prevent timing attacks" }, { "tool_name": "secure_erase", "args": [ "data" ], "doc": "Securely erase sensitive data from memory\nNote: Python doesn't guarantee this works due to GC" } ] }, { "id": "dijkstra_graph_shortest_path_lab.py", "name": "Dijkstra Graph Shortest Path", "description": "Dijkstra Graph Shortest Path\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "metabolomics_lab.py", "name": "Metabolomics", "description": "Metabolic profiling and pathway analysis", "capabilities": [ { "tool_name": "analyze_metabolite_profile", "args": [ "sample_data" ], "doc": "Analyze metabolite concentrations" }, { "tool_name": "calculate_flux_balance", "args": [ "pathway" ], "doc": "Calculate metabolic flux through pathway" }, { "tool_name": "identify_biomarkers", "args": [ "control", "disease" ], "doc": "Identify disease biomarkers" } ] }, { "id": "synthetic_biology_lab.py", "name": "Synthetic Biology", "description": "Design and simulate genetic circuits", "capabilities": [ { "tool_name": "design_genetic_circuit", "args": [ "circuit_type" ], "doc": "Design genetic logic gates" }, { "tool_name": "simulate_crispr_efficiency", "args": [ "guide_sequence", "pam_type" ], "doc": "Calculate CRISPR-Cas9 cutting efficiency" }, { "tool_name": "predict_metabolic_flux", "args": [ "pathway_genes", "expression_levels" ], "doc": "Predict metabolic flux through engineered pathway" } ] }, { "id": "high_frequency_trading_backtester_lab.py", "name": "High Frequency Trading Backtester", "description": "High-Frequency Trading Backtester\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "analytical_chemistry_lab.py", "name": "Analytical Chemistry", "description": "Production-ready analytical chemistry laboratory", "capabilities": [ { "tool_name": "create_calibration_curve", "args": [ "concentrations", "responses", "curve_type", "weighted" ], "doc": "Create and fit calibration curve" }, { "tool_name": "calculate_lod_loq", "args": [ "curve", "blank_responses" ], "doc": "Calculate limit of detection (LOD) and limit of quantification (LOQ)" }, { "tool_name": "internal_standard_correction", "args": [ "analyte_response", "istd_response", "istd_concentration" ], "doc": "Apply internal standard correction" }, { "tool_name": "simulate_chromatogram", "args": [ "compounds", "time_points", "mode" ], "doc": "Simulate a chromatogram with multiple peaks" }, { "tool_name": "integrate_peak", "args": [ "signal", "start_time", "end_time", "baseline_correction" ], "doc": "Integrate chromatographic peak area" }, { "tool_name": "calculate_resolution", "args": [ "peak1", "peak2" ], "doc": "Calculate chromatographic resolution between peaks" }, { "tool_name": "calculate_theoretical_plates", "args": [ "retention_time", "peak_width", "width_type" ], "doc": "Calculate number of theoretical plates" }, { "tool_name": "van_deemter_equation", "args": [ "flow_rate", "A", "B", "C" ], "doc": "Van Deemter equation for plate height" }, { "tool_name": "simulate_mass_spectrum", "args": [ "molecular_formula", "fragmentation_pattern" ], "doc": "Simulate a mass spectrum with isotope patterns" }, { "tool_name": "calculate_exact_mass", "args": [ "molecular_formula" ], "doc": "Calculate exact molecular mass" }, { "tool_name": "mass_accuracy_ppm", "args": [ "measured_mass", "exact_mass" ], "doc": "Calculate mass accuracy in ppm" }, { "tool_name": "beer_lambert_law", "args": [ "epsilon", "path_length", "concentration" ], "doc": "Calculate absorbance using Beer-Lambert law" }, { "tool_name": "calculate_transmittance", "args": [ "absorbance" ], "doc": "Convert absorbance to transmittance" }, { "tool_name": "spectral_deconvolution", "args": [ "signal", "n_components" ], "doc": "Deconvolute overlapping spectral peaks" }, { "tool_name": "fluorescence_quantum_yield", "args": [ "sample_area", "sample_absorbance", "reference_area", "reference_absorbance", "reference_qy", "n_sample", "n_reference" ], "doc": "Calculate fluorescence quantum yield" }, { "tool_name": "calculate_method_precision", "args": [ "replicate_measurements" ], "doc": "Calculate method precision statistics" }, { "tool_name": "calculate_recovery", "args": [ "measured", "expected" ], "doc": "Calculate analytical recovery percentage" }, { "tool_name": "matrix_spike_recovery", "args": [ "sample", "spiked_sample", "spike_amount" ], "doc": "Calculate matrix spike recovery" }, { "tool_name": "calculate_linearity", "args": [ "x", "y" ], "doc": "Assess linearity of analytical method" }, { "tool_name": "method_detection_limit", "args": [ "blank_measurements", "low_conc_measurements", "concentration" ], "doc": "Calculate method detection limit (MDL)" }, { "tool_name": "signal_smoothing", "args": [ "signal", "window_length", "polyorder" ], "doc": "Apply Savitzky-Golay filter for signal smoothing" }, { "tool_name": "baseline_correction", "args": [ "signal", "method" ], "doc": "Perform baseline correction" }, { "tool_name": "peak_detection", "args": [ "signal", "height_threshold", "prominence_threshold" ], "doc": "Detect and characterize peaks in signal" }, { "tool_name": "calculate_signal_to_noise", "args": [ "signal", "signal_region", "noise_region" ], "doc": "Calculate signal-to-noise ratio" }, { "tool_name": "uncertainty_propagation", "args": [ "values", "uncertainties", "operation" ], "doc": "Calculate propagated uncertainty for basic operations" } ] }, { "id": "transfer_learning_feature_extractor_lab.py", "name": "Transfer Learning Feature Extractor", "description": "Transfer Learning Feature Extractor\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "environmental_engineering_lab.py", "name": "Environmental Engineering", "description": "Comprehensive environmental engineering laboratory\nImplements real-world treatment and assessment algorithms", "capabilities": [ { "tool_name": "activated_sludge_design", "args": [ "wastewater", "target_effluent_bod" ], "doc": "Design activated sludge treatment system using Monod kinetics\nBased on Lawrence-McCarty model" }, { "tool_name": "calculate_aqi", "args": [ "pollutant", "concentration", "averaging_period" ], "doc": "Calculate Air Quality Index (AQI) using EPA methodology" }, { "tool_name": "soil_remediation_design", "args": [ "contamination", "remediation_type" ], "doc": "Design soil remediation system based on contaminant characteristics\nSupports bioremediation, soil washing, and thermal desorption" }, { "tool_name": "life_cycle_assessment", "args": [ "process_name", "inputs", "outputs" ], "doc": "Perform simplified Life Cycle Assessment (LCA)\nCalculate environmental impacts using ReCiPe methodology" }, { "tool_name": "trickling_filter_design", "args": [ "wastewater", "filter_media" ], "doc": "Design trickling filter for secondary treatment\nUsing NRC equations and Eckenfelder model" }, { "tool_name": "membrane_bioreactor_design", "args": [ "wastewater" ], "doc": "Design Membrane Bioreactor (MBR) system\nCombines biological treatment with membrane filtration" }, { "tool_name": "wetland_treatment_design", "args": [ "wastewater", "wetland_type" ], "doc": "Design constructed wetland for wastewater treatment\nBased on first-order kinetics and EPA design manual" }, { "tool_name": "anaerobic_digestion_design", "args": [ "organic_waste" ], "doc": "Design anaerobic digestion system for organic waste treatment\nProduces biogas and digestate" } ] }, { "id": "electrical_engineering_lab.py", "name": "Electrical Engineering", "description": "Comprehensive electrical engineering calculations including:\n- AC/DC circuit analysis\n- Filter design (Butterworth, Chebyshev, Elliptic)\n- Power calculations (real, reactive, apparent)\n- Control system stability analysis\n- Signal processing basics\n- Semiconductor modeling", "capabilities": [ { "tool_name": "ohms_law", "args": [ "voltage", "current", "resistance" ], "doc": "Calculate missing value using Ohm's Law: V = I * R\n\nArgs:\n voltage: Voltage in volts\n current: Current in amperes\n resistance: Resistance in ohms\n\nReturns:\n Dictionary with all three values" }, { "tool_name": "series_resistance", "args": [ "resistances" ], "doc": "Calculate total resistance of series resistors: R_total = R1 + R2 + ..." }, { "tool_name": "parallel_resistance", "args": [ "resistances" ], "doc": "Calculate total resistance of parallel resistors: 1/R_total = 1/R1 + 1/R2 + ..." }, { "tool_name": "voltage_divider", "args": [ "v_in", "r1", "r2" ], "doc": "Calculate output voltage of voltage divider: V_out = V_in * R2 / (R1 + R2)\n\nArgs:\n v_in: Input voltage in volts\n r1: First resistor (connected to V_in) in ohms\n r2: Second resistor (connected to ground) in ohms\n\nReturns:\n Output voltage in volts" }, { "tool_name": "current_divider", "args": [ "i_total", "r1", "r2" ], "doc": "Calculate branch currents in current divider\n\nArgs:\n i_total: Total current in amperes\n r1: First branch resistance in ohms\n r2: Second branch resistance in ohms\n\nReturns:\n Tuple of (i1, i2) branch currents" }, { "tool_name": "ac_impedance", "args": [ "resistance", "inductance", "capacitance", "frequency" ], "doc": "Calculate complex impedance: Z = R + j(XL - XC)\n\nArgs:\n resistance: Resistance in ohms\n inductance: Inductance in henries\n capacitance: Capacitance in farads\n frequency: Frequency in Hz (default: self.frequency)\n\nReturns:\n Complex impedance in ohms" }, { "tool_name": "ac_power", "args": [ "voltage", "current", "phase_angle" ], "doc": "Calculate AC power components\n\nArgs:\n voltage: RMS voltage in volts\n current: RMS current in amperes\n phase_angle: Phase angle in radians\n\nReturns:\n Dictionary with real, reactive, apparent power and power factor" }, { "tool_name": "three_phase_power", "args": [ "voltage_line", "current_line", "phase_angle", "configuration" ], "doc": "Calculate three-phase power\n\nArgs:\n voltage_line: Line voltage in volts\n current_line: Line current in amperes\n phase_angle: Phase angle in radians\n configuration: 'wye' or 'delta'\n\nReturns:\n Dictionary with power calculations" }, { "tool_name": "rc_time_constant", "args": [ "resistance", "capacitance" ], "doc": "Calculate RC circuit time constant: \u03c4 = R * C" }, { "tool_name": "rl_time_constant", "args": [ "resistance", "inductance" ], "doc": "Calculate RL circuit time constant: \u03c4 = L / R" }, { "tool_name": "resonant_frequency", "args": [ "inductance", "capacitance" ], "doc": "Calculate resonant frequency of LC circuit: f_0 = 1 / (2\u03c0\u221a(LC))\n\nArgs:\n inductance: Inductance in henries\n capacitance: Capacitance in farads\n\nReturns:\n Resonant frequency in Hz" }, { "tool_name": "quality_factor", "args": [ "resistance", "inductance", "capacitance" ], "doc": "Calculate Q factor of RLC circuit: Q = (1/R) * \u221a(L/C)\n\nArgs:\n resistance: Resistance in ohms\n inductance: Inductance in henries\n capacitance: Capacitance in farads\n\nReturns:\n Quality factor (dimensionless)" }, { "tool_name": "butterworth_filter", "args": [ "order", "cutoff_freq", "filter_type" ], "doc": "Design Butterworth filter\n\nArgs:\n order: Filter order\n cutoff_freq: Cutoff frequency in Hz\n filter_type: 'low', 'high', 'band', or 'stop'\n\nReturns:\n Tuple of (numerator coefficients, denominator coefficients)" }, { "tool_name": "transfer_function_poles_zeros", "args": [ "numerator", "denominator" ], "doc": "Find poles and zeros of transfer function\n\nArgs:\n numerator: Numerator polynomial coefficients\n denominator: Denominator polynomial coefficients\n\nReturns:\n Dictionary with poles, zeros, and stability status" }, { "tool_name": "pid_controller", "args": [ "error", "error_integral", "error_derivative", "kp", "ki", "kd" ], "doc": "Calculate PID controller output\n\nArgs:\n error: Current error signal\n error_integral: Integral of error over time\n error_derivative: Derivative of error\n kp: Proportional gain\n ki: Integral gain\n kd: Derivative gain\n\nReturns:\n Controller output" }, { "tool_name": "bode_plot_data", "args": [ "numerator", "denominator", "frequencies" ], "doc": "Generate data for Bode plot\n\nArgs:\n numerator: Transfer function numerator coefficients\n denominator: Transfer function denominator coefficients\n frequencies: Frequency array in Hz (default: logspace from 0.1 to 10kHz)\n\nReturns:\n Dictionary with frequency, magnitude (dB), and phase (degrees)" }, { "tool_name": "diode_current", "args": [ "voltage", "saturation_current", "ideality_factor" ], "doc": "Calculate diode current using Shockley equation\n\nI = Is * (e^(V/(n*Vt)) - 1)\n\nArgs:\n voltage: Applied voltage in volts\n saturation_current: Saturation current in amperes\n ideality_factor: Ideality factor (1-2)\n\nReturns:\n Diode current in amperes" }, { "tool_name": "transistor_amplifier", "args": [ "vbe", "beta", "vcc", "rc", "re" ], "doc": "Calculate common-emitter amplifier parameters\n\nArgs:\n vbe: Base-emitter voltage in volts\n beta: Current gain (hFE)\n vcc: Collector supply voltage in volts\n rc: Collector resistance in ohms\n re: Emitter resistance in ohms\n\nReturns:\n Dictionary with amplifier parameters" }, { "tool_name": "op_amp_gain", "args": [ "rf", "r1", "config" ], "doc": "Calculate operational amplifier gain\n\nArgs:\n rf: Feedback resistance in ohms\n r1: Input resistance in ohms\n config: 'inverting' or 'non_inverting'\n\nReturns:\n Voltage gain" }, { "tool_name": "transmission_line_impedance", "args": [ "inductance_per_length", "capacitance_per_length" ], "doc": "Calculate characteristic impedance of transmission line\n\nZ0 = \u221a(L/C)\n\nArgs:\n inductance_per_length: Inductance per unit length in H/m\n capacitance_per_length: Capacitance per unit length in F/m\n\nReturns:\n Characteristic impedance in ohms" }, { "tool_name": "signal_to_noise_ratio", "args": [ "signal_power", "noise_power" ], "doc": "Calculate signal-to-noise ratio in dB\n\nSNR = 10 * log10(P_signal / P_noise)\n\nArgs:\n signal_power: Signal power in watts\n noise_power: Noise power in watts\n\nReturns:\n SNR in decibels" }, { "tool_name": "fourier_series_coefficients", "args": [ "signal_func", "period", "n_harmonics" ], "doc": "Calculate Fourier series coefficients\n\nArgs:\n signal_func: Function representing the signal\n period: Signal period in seconds\n n_harmonics: Number of harmonics to calculate\n\nReturns:\n Dictionary with DC component and harmonic coefficients" } ] }, { "id": "astrobiology_lab.py", "name": "Astrobiology", "description": "Analyze conditions for life beyond Earth", "capabilities": [ { "tool_name": "calculate_habitability_index", "args": [ "planet_params" ], "doc": "Calculate planetary habitability index" }, { "tool_name": "analyze_biosignatures", "args": [ "spectrum", "wavelengths" ], "doc": "Detect potential biosignatures in atmospheric spectrum" }, { "tool_name": "estimate_drake_equation", "args": [ "custom_params" ], "doc": "Calculate Drake equation for number of communicating civilizations" } ] }, { "id": "virology_lab.py", "name": "Virology", "description": "Advanced virology simulation and analysis", "capabilities": [ { "tool_name": "simulate_viral_replication", "args": [ "initial_load", "time_hours" ], "doc": "Simulate viral replication dynamics" }, { "tool_name": "predict_mutations", "args": [ "genome_length", "generations" ], "doc": "Predict mutation accumulation" }, { "tool_name": "analyze_antiviral_efficacy", "args": [ "drug_concentration" ], "doc": "Calculate antiviral drug efficacy" } ] }, { "id": "carbon_capture_lab.py", "name": "Carbon Capture", "description": "Comprehensive carbon capture laboratory\nImplements real-world capture, utilization, and storage (CCUS) models", "capabilities": [ { "tool_name": "langmuir_isotherm", "args": [ "pressure", "temperature", "q_max", "b0", "delta_h" ], "doc": "Langmuir adsorption isotherm for CO2\nq = q_max * b * P / (1 + b * P)\nwhere b = b0 * exp(-\u0394H/RT)" }, { "tool_name": "freundlich_isotherm", "args": [ "pressure", "temperature", "k_f", "n" ], "doc": "Freundlich adsorption isotherm\nq = k_f * P^(1/n)\nEmpirical model for heterogeneous surfaces" }, { "tool_name": "dual_site_langmuir", "args": [ "pressure", "temperature", "q_max1", "b01", "delta_h1", "q_max2", "b02", "delta_h2" ], "doc": "Dual-site Langmuir model for heterogeneous adsorbents\nq = q_max1 * b1 * P / (1 + b1 * P) + q_max2 * b2 * P / (1 + b2 * P)" }, { "tool_name": "membrane_separation", "args": [ "gas_stream", "membrane_type", "membrane_area" ], "doc": "Gas separation using membrane technology\nBased on solution-diffusion mechanism" }, { "tool_name": "direct_air_capture", "args": [ "air_temperature", "air_humidity", "capture_material" ], "doc": "Direct Air Capture (DAC) system model\nBased on adsorption/desorption cycles" }, { "tool_name": "geological_storage_capacity", "args": [ "storage_type", "formation_properties" ], "doc": "Calculate CO2 storage capacity for geological formations\nBased on volumetric and solubility trapping mechanisms" }, { "tool_name": "pressure_swing_adsorption", "args": [ "gas_stream", "adsorbent", "n_beds" ], "doc": "Pressure Swing Adsorption (PSA) cycle model\nFor high-purity CO2 separation" }, { "tool_name": "amine_scrubbing", "args": [ "gas_stream", "amine_type" ], "doc": "Amine-based chemical absorption\nMost mature technology for post-combustion capture" }, { "tool_name": "breakthrough_curve", "args": [ "bed_length", "velocity", "co2_concentration", "time_points" ], "doc": "Calculate breakthrough curve for fixed-bed adsorption\nUsing Linear Driving Force (LDF) model" } ] }, { "id": "electromagnetism_lab.py", "name": "Electromagnetism", "description": "", "capabilities": [ { "tool_name": "setup_conductor", "args": [ "conductivity_value" ], "doc": "No description available." }, { "tool_name": "calculate_magnetic_flux_density_for_current_sheet", "args": [ "current_per_unit_length", "distance_from_sheet", "conductor" ], "doc": "No description available." }, { "tool_name": "calculate_electric_field_strength_at_boundary", "args": [ "voltage_diff", "distance_between_boundaries", "conductor" ], "doc": "No description available." } ] }, { "id": "inorganic_chemistry_lab.py", "name": "Inorganic Chemistry", "description": "Production-ready inorganic chemistry laboratory", "capabilities": [ { "tool_name": "calculate_crystal_field_splitting", "args": [ "metal", "ligands", "geometry" ], "doc": "Calculate crystal field splitting energy and diagram" }, { "tool_name": "calculate_ligand_field_parameters", "args": [ "complex" ], "doc": "Calculate comprehensive ligand field parameters" }, { "tool_name": "predict_complex_stability", "args": [ "complex" ], "doc": "Predict stability constants and formation energies" }, { "tool_name": "calculate_metal_ligand_bonding", "args": [ "complex" ], "doc": "Analyze metal-ligand bonding using MO theory" }, { "tool_name": "calculate_redox_potential", "args": [ "half_cell1", "half_cell2", "concentrations" ], "doc": "Calculate cell potential using Nernst equation" }, { "tool_name": "analyze_spectrochemical_series", "args": [ "ligands" ], "doc": "Analyze ligands position in spectrochemical series" }, { "tool_name": "calculate_tanabe_sugano_parameters", "args": [ "metal", "field_strength" ], "doc": "Calculate Tanabe-Sugano diagram parameters for d-electron systems" }, { "tool_name": "predict_magnetic_properties", "args": [ "complex" ], "doc": "Predict magnetic moment and susceptibility" }, { "tool_name": "calculate_lattice_energy", "args": [ "cation", "anion", "structure_type" ], "doc": "Calculate lattice energy using Born-Land\u00e9 equation" } ] }, { "id": "control_systems_lab.py", "name": "Control Systems", "description": "Comprehensive control systems laboratory", "capabilities": [ { "tool_name": "pid_control", "args": [ "controller", "setpoint", "measurement" ], "doc": "Calculate PID controller output with anti-windup and derivative filtering" }, { "tool_name": "auto_tune_pid", "args": [ "system", "method" ], "doc": "Auto-tune PID controller using various methods" }, { "tool_name": "cascade_pid", "args": [ "outer_controller", "inner_controller", "outer_setpoint", "outer_measurement", "inner_measurement" ], "doc": "Cascade PID control for improved performance" }, { "tool_name": "create_state_space", "args": [ "num", "den" ], "doc": "Create state-space model from transfer function" }, { "tool_name": "linearize_system", "args": [ "f", "g", "x0", "u0", "delta" ], "doc": "Linearize nonlinear system around operating point\ndx/dt = f(x, u), y = g(x, u)" }, { "tool_name": "controllability_matrix", "args": [ "system" ], "doc": "Compute controllability matrix [B, AB, A\u00b2B, ...]" }, { "tool_name": "is_controllable", "args": [ "system" ], "doc": "Check if system is controllable" }, { "tool_name": "observability_matrix", "args": [ "system" ], "doc": "Compute observability matrix [C; CA; CA\u00b2; ...]" }, { "tool_name": "is_observable", "args": [ "system" ], "doc": "Check if system is observable" }, { "tool_name": "lqr", "args": [ "system", "Q", "R" ], "doc": "Linear Quadratic Regulator design\nReturns gain matrix K and Riccati solution P" }, { "tool_name": "lqr_with_integral", "args": [ "system", "Q", "R" ], "doc": "LQR with integral action for zero steady-state error" }, { "tool_name": "lqg", "args": [ "system", "Q", "R", "Qn", "Rn" ], "doc": "Linear Quadratic Gaussian control (LQR + Kalman filter)" }, { "tool_name": "kalman_predict", "args": [ "kf", "u" ], "doc": "Kalman filter prediction step" }, { "tool_name": "kalman_update", "args": [ "kf", "y" ], "doc": "Kalman filter update step" }, { "tool_name": "extended_kalman_filter", "args": [ "f", "h", "F_jac", "H_jac", "x", "P", "u", "y", "Q", "R" ], "doc": "Extended Kalman filter for nonlinear systems" }, { "tool_name": "h_infinity_norm", "args": [ "system" ], "doc": "Compute H-infinity norm of system" }, { "tool_name": "mu_synthesis", "args": [ "system", "uncertainty" ], "doc": "\u03bc-synthesis for robust control with structured uncertainty\nSimplified version for demonstration" }, { "tool_name": "mpc", "args": [ "system", "x0", "horizon", "Q", "R", "constraints" ], "doc": "Model Predictive Control with constraints\nSimplified version - real MPC requires quadratic programming" }, { "tool_name": "mrac", "args": [ "reference_model", "plant", "learning_rate" ], "doc": "Model Reference Adaptive Control" }, { "tool_name": "sliding_mode_control", "args": [ "system", "sliding_surface", "switching_gain" ], "doc": "Sliding mode control for robust nonlinear control" }, { "tool_name": "system_identification", "args": [ "input_data", "output_data", "order" ], "doc": "System identification using least squares" }, { "tool_name": "simulate_system", "args": [ "system", "controller", "t_span", "x0", "reference" ], "doc": "Simulate controlled system" } ] }, { "id": "diffusion_model_sampler_lab.py", "name": "Diffusion Model Sampler", "description": "Diffusion Model Sampler\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "ecology_lab.py", "name": "Ecology", "description": "Advanced ecology laboratory.\nImplements population dynamics, food webs, biodiversity metrics, and ecosystem services.", "capabilities": [ { "tool_name": "lotka_volterra_dynamics", "args": [ "initial_populations", "interactions", "time_years", "stochastic" ], "doc": "Generalized Lotka-Volterra population dynamics.\nCan handle predator-prey, competition, and mutualism." }, { "tool_name": "food_web_structure", "args": [ "species_list" ], "doc": "Analyze food web structure and stability.\nReturns network metrics and trophic relationships." }, { "tool_name": "biodiversity_metrics", "args": [ "abundances", "spatial_distribution" ], "doc": "Calculate comprehensive biodiversity metrics.\nIncludes alpha, beta, and gamma diversity." }, { "tool_name": "species_area_relationship", "args": [ "min_area", "max_area", "n_samples" ], "doc": "Model species-area relationship (SAR).\nS = c * A^z where S is species, A is area." }, { "tool_name": "metapopulation_dynamics", "args": [ "patches", "colonization_rate", "extinction_rate", "initial_occupied", "time_years", "connectivity_matrix" ], "doc": "Levins metapopulation model with spatial structure.\nTracks patch occupancy over time." }, { "tool_name": "island_biogeography", "args": [ "island_area", "distance_to_mainland", "mainland_species" ], "doc": "MacArthur-Wilson island biogeography theory.\nPredicts species richness based on area and isolation." }, { "tool_name": "ecological_succession", "args": [ "disturbance_type", "time_years" ], "doc": "Model ecological succession after disturbance.\nTracks community composition changes over time." }, { "tool_name": "ecosystem_services_valuation", "args": [ "land_use", "population" ], "doc": "Calculate economic value of ecosystem services.\nBased on land use and ecosystem health." }, { "tool_name": "habitat_fragmentation_analysis", "args": [ "landscape_matrix", "cell_size" ], "doc": "Analyze habitat fragmentation metrics.\n1 = habitat, 0 = non-habitat in matrix." }, { "tool_name": "carbon_cycle_model", "args": [ "vegetation_biomass", "soil_carbon", "temperature", "precipitation", "time_years" ], "doc": "Ecosystem carbon cycle model.\nTracks carbon pools and fluxes." }, { "tool_name": "demo", "args": [], "doc": "Demonstrate ecology modeling capabilities" } ] }, { "id": "propulsion_lab.py", "name": "Propulsion", "description": "", "capabilities": [ { "tool_name": "calculate_thrust", "args": [ "mass_flow_rate", "exhaust_velocity", "pressure_exit", "pressure_ambient", "area_exit" ], "doc": "Calculates rocket thrust equation: F = q * Ve + (Pe - Pa) * Ae" }, { "tool_name": "ion_thruster_sim", "args": [ "power", "efficiency", "isp" ], "doc": "Simulate Ion Drive performance.\nF = (2 * eta * P) / (g0 * Isp)" }, { "tool_name": "run_demo", "args": [], "doc": "No description available." } ] }, { "id": "evolutionary_biology_lab.py", "name": "Evolutionary Biology", "description": "Production-ready evolutionary biology analysis laboratory.", "capabilities": [ { "tool_name": "initialize_substitution_models", "args": [], "doc": "Initialize nucleotide substitution models." }, { "tool_name": "initialize_population", "args": [ "genome_length" ], "doc": "Initialize population with random genomes." }, { "tool_name": "wright_fisher_model", "args": [ "allele_freq", "Ne", "selection" ], "doc": "Wright-Fisher model with selection." }, { "tool_name": "moran_process", "args": [ "population", "fitness_function" ], "doc": "Moran process for continuous time evolution." }, { "tool_name": "coalescent_simulation", "args": [ "n_samples", "theta" ], "doc": "Coalescent simulation for genealogy reconstruction." }, { "tool_name": "jukes_cantor_distance", "args": [ "seq1", "seq2" ], "doc": "Calculate Jukes-Cantor corrected distance." }, { "tool_name": "kimura_2p_distance", "args": [ "seq1", "seq2" ], "doc": "Calculate Kimura 2-parameter distance." }, { "tool_name": "build_distance_matrix", "args": [ "sequences", "method" ], "doc": "Build pairwise distance matrix." }, { "tool_name": "neighbor_joining", "args": [ "distance_matrix" ], "doc": "Neighbor-joining tree construction algorithm." }, { "tool_name": "calculate_dn_ds_ratio", "args": [ "codon_seq1", "codon_seq2" ], "doc": "Calculate dN/dS ratio for detecting selection." }, { "tool_name": "tajima_d_test", "args": [ "sequences" ], "doc": "Tajima's D test for neutral evolution." }, { "tool_name": "mcdonald_kreitman_test", "args": [ "sequences_sp1", "sequences_sp2" ], "doc": "McDonald-Kreitman test for adaptive evolution." }, { "tool_name": "fst_calculation", "args": [ "pop1_alleles", "pop2_alleles" ], "doc": "Calculate FST for population differentiation." }, { "tool_name": "hardy_weinberg_test", "args": [ "genotypes" ], "doc": "Test for Hardy-Weinberg equilibrium." }, { "tool_name": "simulate_genetic_drift", "args": [ "initial_freq", "Ne", "generations" ], "doc": "Simulate genetic drift over time." }, { "tool_name": "molecular_clock_dating", "args": [ "sequences", "calibration_time", "calibration_nodes" ], "doc": "Estimate divergence times using molecular clock." }, { "tool_name": "simulate_adaptive_landscape", "args": [ "genome_length", "n_peaks" ], "doc": "Create adaptive landscape with multiple fitness peaks." }, { "tool_name": "hill_climbing_evolution", "args": [ "initial_genotype", "fitness_function", "max_steps" ], "doc": "Simulate evolution via hill climbing." }, { "tool_name": "linkage_disequilibrium", "args": [ "genotypes", "locus1", "locus2" ], "doc": "Calculate linkage disequilibrium between two loci." }, { "tool_name": "run_comprehensive_analysis", "args": [ "sequences" ], "doc": "Run complete evolutionary analysis pipeline." } ] }, { "id": "computational_chemistry_lab.py", "name": "Computational Chemistry", "description": "Advanced computational chemistry laboratory for molecular simulations.", "capabilities": [ { "tool_name": "molecular_mechanics_energy", "args": [ "molecule" ], "doc": "Calculate molecular mechanics energy using force field.\n\nE_total = E_bond + E_angle + E_dihedral + E_vdw + E_electrostatic" }, { "tool_name": "am1_energy", "args": [ "molecule" ], "doc": "Calculate energy using AM1 semi-empirical method.\nSimplified implementation for demonstration." }, { "tool_name": "simple_dft_energy", "args": [ "molecule", "functional" ], "doc": "Calculate energy using simplified DFT.\nImplements Local Density Approximation (LDA) and GGA basics." }, { "tool_name": "conformational_search", "args": [ "molecule", "n_conformers", "method" ], "doc": "Search for low-energy conformations.\nMethods: systematic, random, genetic" }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method", "max_iter" ], "doc": "Optimize molecular geometry.\nMethods: MM (molecular mechanics), AM1, DFT" }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of computational chemistry capabilities." } ] }, { "id": "biochemistry_lab.py", "name": "Biochemistry", "description": "Advanced biochemistry laboratory for comprehensive biomolecular simulations.", "capabilities": [ { "tool_name": "michaelis_menten", "args": [ "enzyme", "substrate_conc", "enzyme_conc" ], "doc": "Calculate reaction velocity using Michaelis-Menten equation.\n\nv = (Vmax * [S]) / (Km + [S])\nwhere Vmax = kcat * [E]" }, { "tool_name": "michaelis_menten_inhibition", "args": [ "enzyme", "substrate_conc", "inhibitor_conc", "enzyme_conc", "inhibition_type" ], "doc": "Calculate reaction velocity with enzyme inhibition.\n\nTypes: competitive, noncompetitive, uncompetitive, mixed" }, { "tool_name": "hill_equation", "args": [ "enzyme", "substrate_conc", "enzyme_conc" ], "doc": "Calculate reaction velocity with cooperativity using Hill equation.\n\nv = (Vmax * [S]^n) / (K0.5^n + [S]^n)" }, { "tool_name": "allosteric_regulation", "args": [ "enzyme", "substrate_conc", "activator_conc", "inhibitor_conc", "enzyme_conc" ], "doc": "Model allosteric regulation using MWC (Monod-Wyman-Changeux) model." }, { "tool_name": "ph_activity_profile", "args": [ "enzyme", "substrate_conc", "ph_range", "enzyme_conc" ], "doc": "Calculate enzyme activity as function of pH." }, { "tool_name": "gibbs_unfolding", "args": [ "protein", "temp" ], "doc": "Calculate Gibbs free energy of protein unfolding.\n\n\u0394G = \u0394H - T\u0394S + \u0394Cp[(T - Tm) - T*ln(T/Tm)]" }, { "tool_name": "protein_stability_curve", "args": [ "protein", "temp_range" ], "doc": "Calculate protein stability over temperature range.\nReturns temperatures and fraction folded." }, { "tool_name": "calculate_melting_curve", "args": [ "protein", "temp_range" ], "doc": "Calculate protein melting curve with van't Hoff analysis." }, { "tool_name": "metabolic_flux_balance", "args": [ "stoichiometry", "flux_bounds", "objective" ], "doc": "Solve flux balance analysis for metabolic network.\n\nMaximizes: c^T * v\nSubject to: S * v = 0 (steady state)\n lb <= v <= ub (flux bounds)" }, { "tool_name": "pathway_thermodynamics", "args": [ "metabolites", "stoichiometry" ], "doc": "Calculate overall Gibbs free energy change for a pathway.\n\n\u0394G = \u0394G\u00b0 + RT*ln(Q)" }, { "tool_name": "simulate_pathway_dynamics", "args": [ "initial_conc", "rate_constants", "stoichiometry", "time_points" ], "doc": "Simulate metabolic pathway dynamics using ODEs." }, { "tool_name": "ligand_binding_curve", "args": [ "kd", "ligand_range", "n_sites", "cooperativity" ], "doc": "Calculate fractional saturation for ligand binding.\n\nUses Hill equation for cooperativity." }, { "tool_name": "scatchard_analysis", "args": [ "bound", "free" ], "doc": "Perform Scatchard analysis to determine Kd and number of binding sites.\n\nScatchard equation: B/F = n/Kd - B/Kd" }, { "tool_name": "dna_melting_temperature", "args": [ "sequence", "salt_conc" ], "doc": "Calculate DNA melting temperature using nearest-neighbor model." }, { "tool_name": "nernst_potential", "args": [ "e0", "n_electrons", "ox_conc", "red_conc" ], "doc": "Calculate redox potential using Nernst equation.\n\nE = E\u00b0 - (RT/nF) * ln(red/ox)" }, { "tool_name": "phosphorylation_potential", "args": [ "atp_conc", "adp_conc", "pi_conc" ], "doc": "Calculate phosphorylation potential (\u0394Gp).\n\n\u0394Gp = \u0394G\u00b0' + RT*ln([ADP][Pi]/[ATP])" }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of all biochemistry capabilities." } ] }, { "id": "clinical_trials_simulation_lab.py", "name": "Clinical Trials Simulation", "description": "Advanced clinical trials simulation and analysis", "capabilities": [ { "tool_name": "generate_patient_population", "args": [ "n" ], "doc": "Generate realistic patient population based on eligibility criteria\n\nReference: Pocock, S.J. (1983) Clinical Trials: A Practical Approach. Wiley." }, { "tool_name": "simple_randomization", "args": [], "doc": "Simple randomization (coin flip)\n\nReference: Friedman, L.M. et al. (2015) Fundamentals of Clinical Trials. Springer." }, { "tool_name": "block_randomization", "args": [ "block_size" ], "doc": "Block randomization to ensure balance\n\nReference: Schulz, K.F. & Grimes, D.A. (2002) Lancet 359(9305):515-519" }, { "tool_name": "stratified_randomization", "args": [ "factors" ], "doc": "Stratified randomization based on prognostic factors\n\nReference: Kernan, W.N. et al. (1999) Journal of Clinical Epidemiology 52(1):19-26" }, { "tool_name": "adaptive_randomization", "args": [ "responses" ], "doc": "Response-adaptive randomization (play-the-winner)\n\nReference: Wei, L.J. & Durham, S. (1978) JASA 73(364):840-843" }, { "tool_name": "minimization_randomization", "args": [ "imbalance_weight" ], "doc": "Minimization method to balance covariates\n\nReference: Taves, D.R. (1974) Clinical Pharmacology & Therapeutics 15(5):443-453" }, { "tool_name": "simulate_survival_times", "args": [ "arm", "n_patients" ], "doc": "Simulate survival and progression times using Weibull distribution\n\nReference: Collett, D. (2015) Modelling Survival Data in Medical Research. CRC Press." }, { "tool_name": "kaplan_meier_estimate", "args": [ "times", "events" ], "doc": "Kaplan-Meier survival curve estimation\n\nReference: Kaplan, E.L. & Meier, P. (1958) JASA 53(282):457-481" }, { "tool_name": "cox_proportional_hazards", "args": [ "times", "events", "covariates" ], "doc": "Cox proportional hazards regression (simplified)\n\nReference: Cox, D.R. (1972) Journal of the Royal Statistical Society B 34(2):187-220" }, { "tool_name": "calculate_sample_size", "args": [ "effect_size", "alpha", "power", "two_sided" ], "doc": "Sample size calculation for two-arm trial\n\nReference: Chow, S.C. et al. (2017) Sample Size Calculations. CRC Press." }, { "tool_name": "obrien_fleming_boundaries", "args": [ "n_analyses", "alpha" ], "doc": "O'Brien-Fleming spending function for group sequential design\n\nReference: O'Brien, P.C. & Fleming, T.R. (1979) Biometrics 35(3):549-556" }, { "tool_name": "pocock_boundaries", "args": [ "n_analyses", "alpha" ], "doc": "Pocock boundaries for group sequential design\n\nReference: Pocock, S.J. (1977) Biometrika 64(2):191-199" }, { "tool_name": "simulate_trial_outcomes", "args": [ "assignments" ], "doc": "Simulate individual patient outcomes based on treatment assignment" }, { "tool_name": "perform_interim_analysis", "args": [ "fraction_enrolled" ], "doc": "Perform interim analysis with early stopping rules\n\nReference: Jennison, C. & Turnbull, B.W. (1999) Group Sequential Methods. CRC Press." }, { "tool_name": "calculate_trial_power", "args": [ "n", "effect_size", "alpha" ], "doc": "Post-hoc power calculation\n\nReference: Hintze, J.L. (2008) PASS Software. NCSS." } ] }, { "id": "renewable_energy_lab.py", "name": "Renewable Energy", "description": "Comprehensive renewable energy laboratory", "capabilities": [ { "tool_name": "solar_irradiance", "args": [ "latitude", "day_of_year", "hour", "tilt_angle", "azimuth" ], "doc": "Calculate solar irradiance on tilted surface\nUsing simplified clear-sky model" }, { "tool_name": "solar_cell_iv_curve", "args": [ "cell", "irradiance", "temperature" ], "doc": "Calculate I-V characteristic curve of solar cell\nUsing single-diode model" }, { "tool_name": "solar_cell_efficiency", "args": [ "cell", "spectrum" ], "doc": "Calculate detailed balance limit (Shockley-Queisser) efficiency" }, { "tool_name": "tandem_solar_cell", "args": [ "top_cell", "bottom_cell", "irradiance" ], "doc": "Model tandem (multi-junction) solar cell" }, { "tool_name": "perovskite_stability", "args": [ "temperature", "humidity", "illumination_hours" ], "doc": "Model perovskite solar cell degradation" }, { "tool_name": "wind_power_curve", "args": [ "turbine", "wind_speeds" ], "doc": "Calculate wind turbine power output curve" }, { "tool_name": "wind_profile_height", "args": [ "wind_speed_ref", "height_ref", "height", "roughness_length" ], "doc": "Calculate wind speed at different heights using log law\nroughness_length: 0.0002 (water), 0.03 (open field), 0.5 (suburban), 1.0 (urban)" }, { "tool_name": "weibull_wind_distribution", "args": [ "k", "c", "wind_speeds" ], "doc": "Weibull probability distribution for wind speeds\nk: shape parameter (typically 1.5-3)\nc: scale parameter (m/s)" }, { "tool_name": "capacity_factor", "args": [ "turbine", "wind_distribution" ], "doc": "Calculate capacity factor for wind turbine" }, { "tool_name": "wake_effect", "args": [ "turbines", "wind_direction", "wind_speed" ], "doc": "Calculate wake effects in wind farm\nturbines: list of (x, y) positions" }, { "tool_name": "vertical_axis_turbine", "args": [ "height", "diameter", "wind_speed", "solidity" ], "doc": "Model Vertical Axis Wind Turbine (VAWT) like Darrieus or Savonius" }, { "tool_name": "battery_charge_discharge", "args": [ "battery", "power_profile", "time_step" ], "doc": "Simulate battery charge/discharge with power profile\npower_profile: positive for charging, negative for discharging\ntime_step: hours" }, { "tool_name": "battery_degradation", "args": [ "battery", "cycles", "average_dod", "average_temperature" ], "doc": "Model battery capacity fade over cycles" }, { "tool_name": "flow_battery_model", "args": [ "power", "energy", "electrolyte_volume" ], "doc": "Model flow battery (Vanadium redox, Zinc-bromine, etc.)" }, { "tool_name": "grid_frequency_response", "args": [ "grid", "power_imbalance", "system_inertia" ], "doc": "Calculate grid frequency response to power imbalance" }, { "tool_name": "inverter_control", "args": [ "dc_power", "dc_voltage", "grid_voltage", "grid_frequency" ], "doc": "Model grid-tied inverter with MPPT and grid synchronization" }, { "tool_name": "microgrid_optimization", "args": [ "solar_power", "wind_power", "load_demand", "battery", "grid", "time_step" ], "doc": "Optimize microgrid operation with renewable sources, storage, and grid connection" }, { "tool_name": "hydrogen_storage", "args": [ "excess_power", "electrolyzer_efficiency", "fuel_cell_efficiency" ], "doc": "Model hydrogen energy storage system" }, { "tool_name": "tidal_energy", "args": [ "tidal_velocity", "turbine_area", "efficiency" ], "doc": "Calculate tidal energy generation" }, { "tool_name": "geothermal_power", "args": [ "flow_rate", "inlet_temp", "outlet_temp", "efficiency" ], "doc": "Calculate geothermal power generation\nflow_rate: kg/s\ntemperatures: Celsius" }, { "tool_name": "biomass_gasification", "args": [ "biomass_kg", "moisture_content", "gasifier_efficiency" ], "doc": "Model biomass gasification for power generation" }, { "tool_name": "levelized_cost", "args": [ "capital_cost", "operating_cost", "energy_produced", "lifetime_years", "discount_rate" ], "doc": "Calculate Levelized Cost of Energy (LCOE)" } ] }, { "id": "fluid_dynamics_lab.py", "name": "Fluid Dynamics", "description": "Advanced fluid dynamics calculations for incompressible and compressible flows", "capabilities": [ { "tool_name": "navier_stokes_2d_cavity", "args": [ "Re", "nx", "ny", "nt", "dt" ], "doc": "Solve 2D incompressible Navier-Stokes for lid-driven cavity flow\n\nArgs:\n Re: Reynolds number\n nx, ny: Grid points in x and y\n nt: Number of time steps\n dt: Time step size\n\nReturns:\n Velocity and pressure fields" }, { "tool_name": "blasius_boundary_layer", "args": [ "x", "U_inf", "nu" ], "doc": "Calculate Blasius boundary layer solution for flat plate\n\nArgs:\n x: Streamwise positions (m)\n U_inf: Freestream velocity (m/s)\n nu: Kinematic viscosity (m\u00b2/s)\n\nReturns:\n Boundary layer properties" }, { "tool_name": "turbulent_channel_flow", "args": [ "Re_tau", "y_plus" ], "doc": "Calculate turbulent channel flow velocity profile (law of the wall)\n\nArgs:\n Re_tau: Friction Reynolds number\n y_plus: Dimensionless wall distance\n\nReturns:\n Velocity profiles for different regions" }, { "tool_name": "compressible_shock_tube", "args": [ "x", "t", "P_ratio" ], "doc": "Solve Sod shock tube problem (Riemann problem)\n\nArgs:\n x: Spatial coordinates\n t: Time after diaphragm rupture\n P_ratio: Initial pressure ratio\n\nReturns:\n Flow properties" }, { "tool_name": "karman_vortex_street", "args": [ "Re", "St" ], "doc": "Calculate von Karman vortex street parameters\n\nArgs:\n Re: Reynolds number\n St: Strouhal number\n\nReturns:\n Vortex shedding parameters" }, { "tool_name": "pipe_flow_friction", "args": [ "Re", "roughness" ], "doc": "Calculate Darcy friction factor for pipe flow\n\nArgs:\n Re: Reynolds number\n roughness: Relative roughness (e/D)\n\nReturns:\n Darcy friction factor" }, { "tool_name": "mixing_layer_growth", "args": [ "x", "U1", "U2", "nu" ], "doc": "Calculate turbulent mixing layer growth rate\n\nArgs:\n x: Downstream distance (m)\n U1, U2: Velocities of streams (m/s)\n nu: Kinematic viscosity (m\u00b2/s)\n\nReturns:\n Mixing layer properties" }, { "tool_name": "rayleigh_benard_convection", "args": [ "Ra", "Pr" ], "doc": "Calculate Rayleigh-Benard convection parameters\n\nArgs:\n Ra: Rayleigh number\n Pr: Prandtl number\n\nReturns:\n Convection characteristics" }, { "tool_name": "jet_spreading_rate", "args": [ "x", "D", "U_jet", "Re" ], "doc": "Calculate turbulent jet spreading and decay\n\nArgs:\n x: Axial distance (m)\n D: Nozzle diameter (m)\n U_jet: Exit velocity (m/s)\n Re: Reynolds number\n\nReturns:\n Jet properties" }, { "tool_name": "drag_coefficient", "args": [ "shape", "Re" ], "doc": "Calculate drag coefficient for various shapes\n\nArgs:\n shape: 'sphere', 'cylinder', 'flat_plate', 'airfoil'\n Re: Reynolds number\n\nReturns:\n Drag coefficient" }, { "tool_name": "demonstrate", "args": [], "doc": "Demonstrate all fluid dynamics calculations" } ] }, { "id": "federated_learning_aggregator_lab.py", "name": "Federated Learning Aggregator", "description": "Federated Learning Aggregator\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "cardiac_fibrosis_predictor_lab.py", "name": "Cardiac Fibrosis Predictor", "description": "Advanced cardiac fibrosis modeling laboratory.\n\nFeatures:\n- TGF-beta signaling cascade simulation\n- Collagen accumulation dynamics\n- Fibroblast-to-myofibroblast transformation\n- ECM remodeling with MMP/TIMP balance\n- Treatment response prediction\n- Multi-biomarker integration\n- Stiffness progression modeling", "capabilities": [ { "tool_name": "tgf_beta_signaling_cascade", "args": [ "time", "initial_tgf", "stimulus" ], "doc": "Model TGF-beta signaling cascade in cardiac fibrosis.\n\nBased on: Leask (2015) \"Getting to the heart of the matter: new insights into cardiac fibrosis\"\n\nArgs:\n time: Time points in days\n initial_tgf: Initial TGF-beta concentration (ng/mL)\n stimulus: External stimulus (injury, inflammation)\n\nReturns:\n Dictionary with signaling molecule concentrations" }, { "tool_name": "fibroblast_activation_dynamics", "args": [ "time", "tgf_beta" ], "doc": "Model fibroblast to myofibroblast transformation.\n\nMyofibroblasts are the primary collagen-producing cells in fibrosis.\n\nArgs:\n time: Time points\n tgf_beta: TGF-beta concentration over time\n\nReturns:\n Dictionary with cell populations" }, { "tool_name": "ecm_remodeling_simulation", "args": [ "time", "collagen", "params" ], "doc": "Simulate extracellular matrix remodeling with MMP/TIMP balance.\n\nMMPs degrade collagen, TIMPs inhibit MMPs.\n\nArgs:\n time: Time points\n collagen: Collagen levels over time\n params: Fibrosis parameters\n\nReturns:\n Dictionary with ECM components" }, { "tool_name": "myocardial_stiffness_progression", "args": [ "collagen_content", "crosslinking" ], "doc": "Calculate myocardial stiffness from collagen content.\n\nBased on: Fomovsky et al. (2010) \"Contribution of extracellular matrix to the mechanical properties of the heart\"\n\nArgs:\n collagen_content: Collagen levels (relative)\n crosslinking: Degree of collagen crosslinking\n\nReturns:\n Myocardial stiffness (kPa)" }, { "tool_name": "predict_treatment_response", "args": [ "patient", "treatment", "duration_months" ], "doc": "Predict response to anti-fibrotic treatments.\n\nTreatments:\n- ACE inhibitors/ARBs: Reduce TGF-beta\n- Spironolactone: Aldosterone antagonist\n- Pirfenidone: Direct anti-fibrotic\n- SGLT2 inhibitors: Emerging anti-fibrotic effects\n\nArgs:\n patient: Patient data\n treatment: Treatment type\n duration_months: Treatment duration\n\nReturns:\n Dictionary with treatment response predictions" }, { "tool_name": "calculate_fibrosis_score", "args": [ "patient" ], "doc": "Calculate comprehensive fibrosis score from multimodal data.\n\nIntegrates biomarkers, imaging, and clinical data.\n\nArgs:\n patient: Patient data\n\nReturns:\n Dictionary with fibrosis scores" }, { "tool_name": "longitudinal_progression_model", "args": [ "patient", "years" ], "doc": "Model longitudinal fibrosis progression over years.\n\nArgs:\n patient: Baseline patient data\n years: Follow-up duration\n\nReturns:\n Dictionary with progression trajectories" }, { "tool_name": "analyze_biomarker_correlations", "args": [ "patients" ], "doc": "Analyze correlations between biomarkers and fibrosis.\n\nArgs:\n patients: List of patient data\n\nReturns:\n Dictionary with correlation analysis" }, { "tool_name": "simulate_antifibrotic_drug_trial", "args": [ "n_patients", "drug", "duration_months" ], "doc": "Simulate clinical trial for anti-fibrotic therapy.\n\nArgs:\n n_patients: Number of patients\n drug: Drug being tested\n duration_months: Trial duration\n\nReturns:\n Dictionary with trial results" }, { "tool_name": "demo", "args": [], "doc": "Demonstrate cardiac fibrosis prediction and modeling." } ] }, { "id": "nuclear_physics_lab.py", "name": "Nuclear Physics", "description": "Advanced nuclear physics calculations for reactions and reactor physics", "capabilities": [ { "tool_name": "weizsacker_semi_empirical_mass", "args": [ "A", "Z" ], "doc": "Semi-empirical mass formula (SEMF) for nuclear binding energy\n\nArgs:\n A: Mass number\n Z: Atomic number\n\nReturns:\n Binding energy in MeV" }, { "tool_name": "decay_chain_solver", "args": [ "lambdas", "N0", "t_max", "steps" ], "doc": "Solve Bateman equations for radioactive decay chain\n\nArgs:\n lambdas: Decay constants (1/s) for each isotope\n N0: Initial populations\n t_max: Maximum time (s)\n steps: Number of time steps\n\nReturns:\n Population evolution over time" }, { "tool_name": "neutron_cross_section", "args": [ "E", "target_A", "reaction_type" ], "doc": "Calculate neutron cross-sections using Breit-Wigner formula\n\nArgs:\n E: Neutron energies (eV)\n target_A: Target mass number\n reaction_type: 'fission', 'capture', or 'scattering'\n\nReturns:\n Cross-sections in barns" }, { "tool_name": "criticality_equation", "args": [ "k_inf", "B_g2", "L2", "tau" ], "doc": "Four-factor formula for reactor criticality\n\nArgs:\n k_inf: Infinite multiplication factor\n B_g2: Geometric buckling (1/m\u00b2)\n L2: Thermal diffusion area (m\u00b2)\n tau: Fermi age (m\u00b2)\n\nReturns:\n Effective multiplication factor k_eff" }, { "tool_name": "fission_yield_distribution", "args": [ "A_frag", "A_total" ], "doc": "Calculate fission fragment yield distribution\n\nArgs:\n A_frag: Fragment mass numbers\n A_total: Total mass number (e.g., 236 for U-235 + n)\n\nReturns:\n Yield probabilities" }, { "tool_name": "fusion_reaction_rate", "args": [ "T", "reaction" ], "doc": "Calculate fusion reaction rate using Gamow factor\n\nArgs:\n T: Temperature (keV)\n reaction: 'DT', 'DD', or 'DHe3'\n\nReturns:\n Reaction rate coefficient <\u03c3v> in m\u00b3/s" }, { "tool_name": "radiation_shielding_attenuation", "args": [ "E", "x", "Z", "particle" ], "doc": "Calculate radiation attenuation through shielding\n\nArgs:\n E: Energy (MeV)\n x: Shield thickness (cm)\n Z: Atomic number of shield\n particle: 'gamma', 'neutron', or 'beta'\n\nReturns:\n Transmission fraction" }, { "tool_name": "reactor_neutron_diffusion", "args": [ "r", "R_core", "D", "Sigma_a", "nu_Sigma_f" ], "doc": "Solve neutron diffusion equation in reactor core\n\nArgs:\n r: Radial positions (m)\n R_core: Core radius (m)\n D: Diffusion coefficient (m)\n Sigma_a: Absorption cross-section (1/m)\n nu_Sigma_f: Fission production (1/m)\n\nReturns:\n Neutron flux distribution" }, { "tool_name": "q_value_calculation", "args": [ "reactants", "products" ], "doc": "Calculate Q-value for nuclear reaction\n\nArgs:\n reactants: Dict of reactant masses (amu)\n products: Dict of product masses (amu)\n\nReturns:\n Q-value in MeV" }, { "tool_name": "coulomb_barrier_tunneling", "args": [ "E", "Z1", "Z2", "A1", "A2" ], "doc": "Calculate tunneling probability through Coulomb barrier\n\nArgs:\n E: Center-of-mass energy (MeV)\n Z1, Z2: Atomic numbers\n A1, A2: Mass numbers\n\nReturns:\n Tunneling probability" }, { "tool_name": "neutron_moderation_spectrum", "args": [ "E", "T", "A_mod" ], "doc": "Calculate neutron energy spectrum after moderation\n\nArgs:\n E: Neutron energies (eV)\n T: Moderator temperature (K)\n A_mod: Moderator mass number\n\nReturns:\n Neutron flux spectrum" }, { "tool_name": "beta_decay_spectrum", "args": [ "E_beta", "Q_beta", "Z" ], "doc": "Calculate beta decay energy spectrum (Fermi theory)\n\nArgs:\n E_beta: Beta particle energies (MeV)\n Q_beta: Q-value of decay (MeV)\n Z: Atomic number of daughter\n\nReturns:\n Beta spectrum intensity" }, { "tool_name": "demonstrate", "args": [], "doc": "Demonstrate all nuclear physics calculations" } ] }, { "id": "natural_language_processing_lab.py", "name": "Natural Language Processing", "description": "Production-ready NLP algorithms implemented from scratch.", "capabilities": [ { "tool_name": "tokenize", "args": [ "text", "method" ], "doc": "Tokenize text using various methods.\n\nArgs:\n text: Input text\n method: 'word', 'sentence', 'subword', 'char'\n\nReturns:\n List of tokens" }, { "tool_name": "build_vocabulary", "args": [ "corpus", "max_vocab" ], "doc": "Build vocabulary from corpus.\n\nArgs:\n corpus: List of documents\n max_vocab: Maximum vocabulary size" }, { "tool_name": "text_to_indices", "args": [ "text" ], "doc": "Convert text to vocabulary indices." }, { "tool_name": "indices_to_text", "args": [ "indices" ], "doc": "Convert vocabulary indices back to text." }, { "tool_name": "compute_tf_idf", "args": [ "corpus" ], "doc": "Compute TF-IDF vectors for corpus.\n\nArgs:\n corpus: List of documents\n\nReturns:\n TF-IDF matrix (n_docs, vocab_size)" }, { "tool_name": "word2vec_skipgram", "args": [ "corpus", "iterations" ], "doc": "Train Word2Vec embeddings using Skip-gram with Negative Sampling.\n\nArgs:\n corpus: List of documents\n iterations: Training iterations\n\nReturns:\n Word embedding matrix" }, { "tool_name": "attention_mechanism", "args": [ "query", "keys", "values", "mask" ], "doc": "Implement scaled dot-product attention.\n\nArgs:\n query: Query matrix (seq_len, d_k)\n keys: Key matrix (seq_len, d_k)\n values: Value matrix (seq_len, d_v)\n mask: Optional attention mask\n\nReturns:\n Attention output and attention weights" }, { "tool_name": "multi_head_attention", "args": [ "query", "keys", "values", "num_heads" ], "doc": "Implement multi-head attention.\n\nArgs:\n query: Query matrix\n keys: Key matrix\n values: Value matrix\n num_heads: Number of attention heads\n\nReturns:\n Multi-head attention output" }, { "tool_name": "build_n_gram_model", "args": [ "corpus" ], "doc": "Build n-gram language model.\n\nArgs:\n corpus: List of documents" }, { "tool_name": "calculate_perplexity", "args": [ "text", "model_type" ], "doc": "Calculate perplexity of text under n-gram model.\n\nArgs:\n text: Input text\n model_type: 'bigram' or 'trigram'\n\nReturns:\n Perplexity score" }, { "tool_name": "sequence_to_sequence", "args": [ "encoder_input", "decoder_steps" ], "doc": "Simple sequence-to-sequence model with attention.\n\nArgs:\n encoder_input: Input sequence (seq_len, embedding_dim)\n decoder_steps: Number of decoding steps\n\nReturns:\n Decoded sequence" }, { "tool_name": "edit_distance", "args": [ "str1", "str2" ], "doc": "Calculate Levenshtein edit distance between two strings.\n\nArgs:\n str1: First string\n str2: Second string\n\nReturns:\n Edit distance" }, { "tool_name": "cosine_similarity", "args": [ "vec1", "vec2" ], "doc": "Calculate cosine similarity between two vectors." }, { "tool_name": "text_classification_metrics", "args": [ "y_true", "y_pred" ], "doc": "Calculate classification metrics for text classification.\n\nArgs:\n y_true: True labels\n y_pred: Predicted labels\n\nReturns:\n Dictionary of metrics" }, { "tool_name": "beam_search_decoder", "args": [ "start_token", "max_length" ], "doc": "Implement beam search decoding.\n\nArgs:\n start_token: Starting token index\n max_length: Maximum sequence length\n\nReturns:\n Decoded sequence" }, { "tool_name": "named_entity_recognition", "args": [ "text" ], "doc": "Simple rule-based Named Entity Recognition.\n\nArgs:\n text: Input text\n\nReturns:\n List of (entity, type) tuples" }, { "tool_name": "sentiment_analysis_lexicon", "args": [ "text" ], "doc": "Simple lexicon-based sentiment analysis.\n\nArgs:\n text: Input text\n\nReturns:\n Sentiment scores" }, { "tool_name": "text_summarization_extractive", "args": [ "text", "num_sentences" ], "doc": "Extractive text summarization using sentence scoring.\n\nArgs:\n text: Input text\n num_sentences: Number of sentences in summary\n\nReturns:\n Summary text" } ] }, { "id": "regenerative_medicine_lab.py", "name": "Regenerative Medicine", "description": "Stem cell and tissue regeneration modeling", "capabilities": [ { "tool_name": "simulate_stem_cell_differentiation", "args": [ "cell_type", "days" ], "doc": "Simulate stem cell differentiation trajectory" }, { "tool_name": "design_scaffold", "args": [ "material", "porosity" ], "doc": "Design tissue engineering scaffold" }, { "tool_name": "predict_organoid_growth", "args": [ "initial_cells", "days" ], "doc": "Predict organoid growth dynamics" } ] }, { "id": "algorithm_design_lab.py", "name": "Algorithm Design", "description": "Comprehensive algorithm design laboratory with sorting, graph, and DP algorithms", "capabilities": [ { "tool_name": "quicksort", "args": [ "arr", "track_stats" ], "doc": "Implements quicksort algorithm with Lomuto partition scheme.\nAverage: O(n log n), Worst: O(n\u00b2), Space: O(log n)" }, { "tool_name": "mergesort", "args": [ "arr" ], "doc": "Implements merge sort algorithm.\nTime: O(n log n) always, Space: O(n)" }, { "tool_name": "heapsort", "args": [ "arr" ], "doc": "Implements heap sort algorithm using max heap.\nTime: O(n log n), Space: O(1)" }, { "tool_name": "radix_sort", "args": [ "arr" ], "doc": "Implements radix sort for non-negative integers.\nTime: O(d * n) where d is number of digits, Space: O(n)" }, { "tool_name": "dijkstra", "args": [ "graph", "start", "end" ], "doc": "Dijkstra's shortest path algorithm using min-heap.\nTime: O((V + E) log V), Space: O(V)" }, { "tool_name": "bellman_ford", "args": [ "edges", "num_vertices", "start" ], "doc": "Bellman-Ford algorithm for shortest paths with negative weights.\nTime: O(VE), Space: O(V)\nReturns distances and whether negative cycle exists" }, { "tool_name": "floyd_warshall", "args": [ "adj_matrix" ], "doc": "Floyd-Warshall all-pairs shortest path algorithm.\nTime: O(V\u00b3), Space: O(V\u00b2)" }, { "tool_name": "kruskal_mst", "args": [ "edges", "num_vertices" ], "doc": "Kruskal's minimum spanning tree algorithm using Union-Find.\nTime: O(E log E), Space: O(V)" }, { "tool_name": "topological_sort", "args": [ "graph" ], "doc": "Topological sort using Kahn's algorithm (BFS-based).\nTime: O(V + E), Space: O(V)\nReturns None if cycle exists" }, { "tool_name": "strongly_connected_components", "args": [ "graph" ], "doc": "Kosaraju's algorithm for finding strongly connected components.\nTime: O(V + E), Space: O(V)" }, { "tool_name": "longest_common_subsequence", "args": [ "seq1", "seq2" ], "doc": "Finds longest common subsequence using dynamic programming.\nTime: O(mn), Space: O(mn)" }, { "tool_name": "knapsack_01", "args": [ "weights", "values", "capacity" ], "doc": "Solves 0/1 knapsack problem using dynamic programming.\nTime: O(nW), Space: O(nW) where W is capacity" }, { "tool_name": "edit_distance", "args": [ "str1", "str2" ], "doc": "Computes Levenshtein distance and transformation sequence.\nTime: O(mn), Space: O(mn)" }, { "tool_name": "matrix_chain_multiplication", "args": [ "dimensions" ], "doc": "Finds optimal parenthesization for matrix chain multiplication.\nTime: O(n\u00b3), Space: O(n\u00b2)" }, { "tool_name": "analyze_sorting_complexity", "args": [ "size" ], "doc": "Analyzes complexity of different sorting algorithms" }, { "tool_name": "benchmark_algorithms", "args": [ "input_sizes" ], "doc": "Benchmarks algorithms across different input sizes" } ] }, { "id": "aerospace_engineering_lab.py", "name": "Aerospace Engineering", "description": "Comprehensive aerospace engineering calculations including:\n- Lift and drag calculations\n- Orbital mechanics and trajectory planning\n- Propulsion system analysis\n- Structural analysis for aircraft and spacecraft\n- Stability and control analysis\n- Trajectory optimization", "capabilities": [ { "tool_name": "standard_atmosphere", "args": [ "altitude" ], "doc": "Calculate atmospheric properties using International Standard Atmosphere model\n\nArgs:\n altitude: Altitude in meters (0-85000m)\n\nReturns:\n Dictionary with temperature, pressure, density, and speed of sound" }, { "tool_name": "lift_coefficient", "args": [ "angle_of_attack", "aspect_ratio", "sweep_angle", "efficiency" ], "doc": "Calculate lift coefficient using lifting-line theory\n\nCL = 2\u03c0 * \u03b1 * (AR / (AR + 2))\n\nArgs:\n angle_of_attack: Angle of attack in radians\n aspect_ratio: Wing aspect ratio (span\u00b2/area)\n sweep_angle: Wing sweep angle in radians\n efficiency: Span efficiency factor (0.8-1.0)\n\nReturns:\n Lift coefficient" }, { "tool_name": "drag_coefficient", "args": [ "lift_coefficient", "aspect_ratio", "cd_zero", "efficiency" ], "doc": "Calculate drag coefficient using drag polar\n\nCD = CD0 + CL\u00b2/(\u03c0*e*AR)\n\nArgs:\n lift_coefficient: Lift coefficient\n aspect_ratio: Wing aspect ratio\n cd_zero: Zero-lift drag coefficient\n efficiency: Oswald efficiency factor\n\nReturns:\n Total drag coefficient" }, { "tool_name": "lift_drag_forces", "args": [ "velocity", "altitude", "wing_area", "cl", "cd" ], "doc": "Calculate aerodynamic forces\n\nArgs:\n velocity: Airspeed in m/s\n altitude: Altitude in meters\n wing_area: Wing reference area in m\u00b2\n cl: Lift coefficient\n cd: Drag coefficient\n\nReturns:\n Dictionary with lift, drag, and L/D ratio" }, { "tool_name": "mach_number", "args": [ "velocity", "altitude" ], "doc": "Calculate Mach number\n\nArgs:\n velocity: Airspeed in m/s\n altitude: Altitude in meters\n\nReturns:\n Mach number" }, { "tool_name": "orbital_velocity", "args": [ "radius", "central_mass" ], "doc": "Calculate circular orbital velocity\n\nv = \u221a(\u03bc/r)\n\nArgs:\n radius: Orbital radius in meters\n central_mass: Central body mass in kg (default: Earth)\n\nReturns:\n Orbital velocity in m/s" }, { "tool_name": "orbital_period", "args": [ "semi_major_axis", "central_mass" ], "doc": "Calculate orbital period using Kepler's third law\n\nT = 2\u03c0\u221a(a\u00b3/\u03bc)\n\nArgs:\n semi_major_axis: Semi-major axis in meters\n central_mass: Central body mass in kg (default: Earth)\n\nReturns:\n Period in seconds" }, { "tool_name": "hohmann_transfer", "args": [ "r1", "r2" ], "doc": "Calculate Hohmann transfer orbit parameters\n\nArgs:\n r1: Initial orbit radius in meters\n r2: Final orbit radius in meters\n\nReturns:\n Dictionary with delta-v requirements and transfer time" }, { "tool_name": "vis_viva_equation", "args": [ "radius", "semi_major_axis" ], "doc": "Calculate orbital velocity at any point using vis-viva equation\n\nv\u00b2 = \u03bc(2/r - 1/a)\n\nArgs:\n radius: Current radius in meters\n semi_major_axis: Semi-major axis in meters\n\nReturns:\n Velocity in m/s" }, { "tool_name": "escape_velocity", "args": [ "radius", "central_mass" ], "doc": "Calculate escape velocity\n\nv_escape = \u221a(2\u03bc/r)\n\nArgs:\n radius: Distance from center in meters\n central_mass: Central body mass in kg (default: Earth)\n\nReturns:\n Escape velocity in m/s" }, { "tool_name": "specific_impulse", "args": [ "exhaust_velocity" ], "doc": "Calculate specific impulse from exhaust velocity\n\nIsp = v_e / g0\n\nArgs:\n exhaust_velocity: Exhaust velocity in m/s\n\nReturns:\n Specific impulse in seconds" }, { "tool_name": "tsiolkovsky_equation", "args": [ "delta_v", "specific_impulse", "initial_mass" ], "doc": "Calculate final mass using rocket equation\n\n\u0394v = Isp * g0 * ln(m0/mf)\n\nArgs:\n delta_v: Required velocity change in m/s\n specific_impulse: Specific impulse in seconds\n initial_mass: Initial mass in kg\n\nReturns:\n Final mass in kg" }, { "tool_name": "propellant_mass_fraction", "args": [ "delta_v", "specific_impulse" ], "doc": "Calculate propellant mass fraction for given delta-v\n\nArgs:\n delta_v: Required velocity change in m/s\n specific_impulse: Specific impulse in seconds\n\nReturns:\n Propellant mass fraction (0-1)" }, { "tool_name": "thrust_to_weight", "args": [ "thrust", "mass", "altitude" ], "doc": "Calculate thrust-to-weight ratio\n\nArgs:\n thrust: Thrust in Newtons\n mass: Vehicle mass in kg\n altitude: Altitude in meters\n\nReturns:\n Thrust-to-weight ratio" }, { "tool_name": "jet_engine_thrust", "args": [ "mass_flow", "exit_velocity", "exit_pressure", "exit_area", "ambient_pressure" ], "doc": "Calculate jet engine thrust\n\nF = \u1e41*Ve + (Pe - Pa)*Ae\n\nArgs:\n mass_flow: Mass flow rate in kg/s\n exit_velocity: Exit velocity in m/s\n exit_pressure: Exit pressure in Pa\n exit_area: Nozzle exit area in m\u00b2\n ambient_pressure: Ambient pressure in Pa\n\nReturns:\n Thrust in Newtons" }, { "tool_name": "range_equation", "args": [ "velocity", "lift_to_drag", "specific_fuel_consumption", "initial_weight", "final_weight" ], "doc": "Calculate aircraft range using Breguet equation\n\nR = (V * L/D / SFC) * ln(W0/W1)\n\nArgs:\n velocity: Cruise velocity in m/s\n lift_to_drag: L/D ratio\n specific_fuel_consumption: SFC in 1/s\n initial_weight: Initial weight in N\n final_weight: Final weight in N\n\nReturns:\n Range in meters" }, { "tool_name": "endurance_equation", "args": [ "lift_to_drag", "specific_fuel_consumption", "initial_weight", "final_weight" ], "doc": "Calculate aircraft endurance\n\nE = (L/D / SFC) * ln(W0/W1)\n\nArgs:\n lift_to_drag: L/D ratio\n specific_fuel_consumption: SFC in 1/s\n initial_weight: Initial weight in N\n final_weight: Final weight in N\n\nReturns:\n Endurance in seconds" }, { "tool_name": "static_stability_margin", "args": [ "cg_location", "neutral_point", "mean_chord" ], "doc": "Calculate static stability margin\n\nSM = (x_np - x_cg) / c\n\nArgs:\n cg_location: Center of gravity location in meters\n neutral_point: Neutral point location in meters\n mean_chord: Mean aerodynamic chord in meters\n\nReturns:\n Static margin (positive = stable)" }, { "tool_name": "dutch_roll_frequency", "args": [ "velocity", "wingspan", "yaw_damping", "directional_stability" ], "doc": "Calculate Dutch roll natural frequency\n\nArgs:\n velocity: Airspeed in m/s\n wingspan: Wingspan in meters\n yaw_damping: Yaw damping derivative\n directional_stability: Directional stability derivative\n\nReturns:\n Dutch roll frequency in rad/s" }, { "tool_name": "phugoid_period", "args": [ "velocity" ], "doc": "Calculate phugoid oscillation period\n\nT = 0.138 * V (approximate formula in SI units)\n\nArgs:\n velocity: Airspeed in m/s\n\nReturns:\n Period in seconds" }, { "tool_name": "beam_stress", "args": [ "moment", "distance", "inertia" ], "doc": "Calculate bending stress in structural member\n\n\u03c3 = M*y/I\n\nArgs:\n moment: Bending moment in N\u00b7m\n distance: Distance from neutral axis in meters\n inertia: Second moment of inertia in m\u2074\n\nReturns:\n Stress in Pa" }, { "tool_name": "wing_loading", "args": [ "weight", "wing_area" ], "doc": "Calculate wing loading\n\nW/S = Weight / Wing_Area\n\nArgs:\n weight: Aircraft weight in N\n wing_area: Wing area in m\u00b2\n\nReturns:\n Wing loading in N/m\u00b2" }, { "tool_name": "stall_speed", "args": [ "weight", "wing_area", "cl_max", "altitude" ], "doc": "Calculate stall speed\n\nV_stall = \u221a(2W/(\u03c1*S*CL_max))\n\nArgs:\n weight: Aircraft weight in N\n wing_area: Wing area in m\u00b2\n cl_max: Maximum lift coefficient\n altitude: Altitude in meters\n\nReturns:\n Stall speed in m/s" }, { "tool_name": "turn_radius", "args": [ "velocity", "bank_angle" ], "doc": "Calculate turning radius for coordinated turn\n\nr = V\u00b2/(g*tan(\u03c6))\n\nArgs:\n velocity: Airspeed in m/s\n bank_angle: Bank angle in radians\n\nReturns:\n Turn radius in meters" }, { "tool_name": "load_factor", "args": [ "bank_angle" ], "doc": "Calculate load factor in turn\n\nn = 1/cos(\u03c6)\n\nArgs:\n bank_angle: Bank angle in radians\n\nReturns:\n Load factor (g's)" }, { "tool_name": "reynolds_number", "args": [ "velocity", "characteristic_length", "altitude" ], "doc": "Calculate Reynolds number for aerodynamic analysis\n\nRe = \u03c1VL/\u03bc\n\nArgs:\n velocity: Flow velocity in m/s\n characteristic_length: Characteristic length in meters\n altitude: Altitude in meters\n\nReturns:\n Reynolds number" }, { "tool_name": "heat_flux_reentry", "args": [ "velocity", "altitude", "nose_radius" ], "doc": "Calculate stagnation point heat flux during atmospheric entry\n\nSimplified correlation: q = C * \u221a(\u03c1/r) * V\u00b3\n\nArgs:\n velocity: Entry velocity in m/s\n altitude: Altitude in meters\n nose_radius: Nose radius in meters\n\nReturns:\n Heat flux in W/m\u00b2" }, { "tool_name": "trajectory_simulation", "args": [ "initial_conditions", "vehicle_params", "time_span", "time_steps" ], "doc": "Simulate 2D trajectory with drag\n\nArgs:\n initial_conditions: Dict with 'velocity', 'altitude', 'flight_path_angle'\n vehicle_params: Dict with 'mass', 'area', 'cd'\n time_span: Tuple of (start_time, end_time) in seconds\n time_steps: Number of time steps\n\nReturns:\n Dictionary with time, altitude, velocity, and range arrays" } ] }, { "id": "astrophysics_lab.py", "name": "Astrophysics", "description": "Advanced astrophysics calculations for stellar evolution and cosmology", "capabilities": [ { "tool_name": "lane_emden_solver", "args": [ "n", "xi_max" ], "doc": "Solve Lane-Emden equation for polytropic stellar structure\nd\u00b2\u03b8/d\u03be\u00b2 + (2/\u03be)d\u03b8/d\u03be + \u03b8\u207f = 0\n\nArgs:\n n: Polytropic index (1.5 for convective, 3 for radiative)\n xi_max: Maximum dimensionless radius\n\nReturns:\n Dictionary with xi, theta, and derivatives" }, { "tool_name": "stellar_structure_integration", "args": [ "M_star", "composition" ], "doc": "Integrate stellar structure equations from center to surface\n\nArgs:\n M_star: Stellar mass in solar masses\n composition: {'X': H fraction, 'Y': He fraction, 'Z': metallicity}\n\nReturns:\n Radial profiles of mass, pressure, temperature, luminosity" }, { "tool_name": "nbody_gravitational_dynamics", "args": [ "masses", "positions", "velocities", "dt", "steps" ], "doc": "N-body gravitational simulation using Verlet integration\n\nArgs:\n masses: Array of masses (kg)\n positions: Initial positions (m) shape (n_bodies, 3)\n velocities: Initial velocities (m/s) shape (n_bodies, 3)\n dt: Time step (s)\n steps: Number of integration steps\n\nReturns:\n Trajectories and energies over time" }, { "tool_name": "hubble_flow_cosmology", "args": [ "z" ], "doc": "Calculate cosmological distances and times for given redshift\n\nArgs:\n z: Redshift\n\nReturns:\n Cosmological parameters at redshift z" }, { "tool_name": "spectral_classification", "args": [ "temperature", "luminosity" ], "doc": "Stellar spectral classification and HR diagram position\n\nArgs:\n temperature: Effective temperature (K)\n luminosity: Luminosity (solar units)\n\nReturns:\n Spectral class and stellar parameters" }, { "tool_name": "gravitational_lensing", "args": [ "M_lens", "D_l", "D_s" ], "doc": "Calculate gravitational lensing parameters\n\nArgs:\n M_lens: Mass of lens (solar masses)\n D_l: Distance to lens (Mpc)\n D_s: Distance to source (Mpc)\n\nReturns:\n Einstein radius and lensing parameters" }, { "tool_name": "schwarzschild_metric", "args": [ "M", "r" ], "doc": "Calculate Schwarzschild metric components around black hole\n\nArgs:\n M: Black hole mass (solar masses)\n r: Radial coordinates (Schwarzschild radii)\n\nReturns:\n Metric components and orbital parameters" }, { "tool_name": "cepheid_period_luminosity", "args": [ "period_days", "metallicity" ], "doc": "Cepheid variable period-luminosity relation for distance measurement\n\nArgs:\n period_days: Pulsation period in days\n metallicity: Metallicity (Z)\n\nReturns:\n Absolute magnitude" }, { "tool_name": "type_ia_supernova_luminosity", "args": [ "stretch_factor" ], "doc": "Type Ia supernova standardizable candle luminosity\n\nArgs:\n stretch_factor: Light curve stretch parameter\n\nReturns:\n Peak absolute magnitude" }, { "tool_name": "tidal_disruption_radius", "args": [ "M_bh", "M_star", "R_star" ], "doc": "Calculate tidal disruption radius for a star near a black hole\n\nArgs:\n M_bh: Black hole mass (solar masses)\n M_star: Star mass (solar masses)\n R_star: Star radius (solar radii)\n\nReturns:\n Tidal disruption radius in solar radii" }, { "tool_name": "virial_theorem_cluster", "args": [ "velocity_dispersion", "radius" ], "doc": "Calculate cluster mass using virial theorem\n\nArgs:\n velocity_dispersion: RMS velocity (m/s)\n radius: Cluster radius (Mpc)\n\nReturns:\n Total mass in solar masses" }, { "tool_name": "demonstrate", "args": [], "doc": "Demonstrate all astrophysics calculations" } ] }, { "id": "medical_imaging_lab.py", "name": "Medical Imaging", "description": "Advanced medical imaging simulation laboratory.\n\nFeatures:\n- CT: Radon transform, filtered backprojection, beam hardening\n- MRI: Bloch equations, T1/T2 relaxation, k-space sampling\n- Ultrasound: Wave propagation, beamforming, Doppler\n- Image quality metrics: SNR, CNR, MTF, NPS\n- Artifact simulation and correction", "capabilities": [ { "tool_name": "generate_phantom", "args": [ "size", "phantom_type" ], "doc": "Generate standard imaging phantom for testing.\n\nArgs:\n size: Image size\n phantom_type: Type of phantom\n\nReturns:\n 2D phantom array" }, { "tool_name": "ct_forward_projection", "args": [ "image", "angles" ], "doc": "Compute Radon transform (CT forward projection).\n\nBased on: Kak & Slaney (1988) \"Principles of Computerized Tomographic Imaging\"\n\nArgs:\n image: 2D image\n angles: Projection angles in degrees\n\nReturns:\n Sinogram (projections x detectors)" }, { "tool_name": "ct_filtered_backprojection", "args": [ "sinogram", "angles", "filter_type" ], "doc": "Filtered backprojection reconstruction.\n\nStandard CT reconstruction algorithm.\n\nArgs:\n sinogram: Projection data\n angles: Projection angles\n filter_type: Reconstruction filter\n\nReturns:\n Reconstructed image" }, { "tool_name": "ct_simulate_scan", "args": [ "phantom", "params" ], "doc": "Simulate complete CT scan with artifacts.\n\nArgs:\n phantom: Input phantom\n params: CT parameters\n\nReturns:\n Dictionary with sinogram and reconstructed image" }, { "tool_name": "mri_bloch_equation_solver", "args": [ "M0", "T1", "T2", "time", "B1" ], "doc": "Solve Bloch equations for MRI signal evolution.\n\nBloch equations describe nuclear magnetization dynamics.\n\nArgs:\n M0: Equilibrium magnetization\n T1: Longitudinal relaxation time (ms)\n T2: Transverse relaxation time (ms)\n time: Time points (ms)\n B1: RF pulse amplitude (\u03bcT)\n\nReturns:\n Magnetization vector over time" }, { "tool_name": "mri_generate_kspace", "args": [ "image", "params" ], "doc": "Generate k-space data from image.\n\nk-space is the Fourier domain of the MR image.\n\nArgs:\n image: Spatial domain image\n params: MRI parameters\n\nReturns:\n Complex k-space data" }, { "tool_name": "mri_reconstruct_from_kspace", "args": [ "kspace" ], "doc": "Reconstruct image from k-space data.\n\nArgs:\n kspace: Complex k-space data\n\nReturns:\n Magnitude image" }, { "tool_name": "mri_simulate_scan", "args": [ "phantom", "tissue_params", "params" ], "doc": "Simulate MRI acquisition with tissue contrast.\n\nArgs:\n phantom: Tissue type map\n tissue_params: T1/T2 values for each tissue\n params: MRI parameters\n\nReturns:\n Dictionary with k-space and images" }, { "tool_name": "ultrasound_wave_propagation", "args": [ "medium", "frequency", "speed_of_sound" ], "doc": "Simulate ultrasound wave propagation.\n\nBased on: Szabo (2014) \"Diagnostic Ultrasound Imaging\"\n\nArgs:\n medium: Acoustic impedance map\n frequency: Ultrasound frequency (MHz)\n speed_of_sound: m/s\n\nReturns:\n RF signal" }, { "tool_name": "ultrasound_beamforming", "args": [ "rf_data", "num_elements", "focus_depth" ], "doc": "Apply delay-and-sum beamforming.\n\nStandard ultrasound image formation technique.\n\nArgs:\n rf_data: Raw RF data\n num_elements: Number of transducer elements\n focus_depth: Focus depth in mm\n\nReturns:\n Beamformed image" }, { "tool_name": "ultrasound_doppler_processing", "args": [ "rf_data", "prf", "angle" ], "doc": "Process Doppler ultrasound for flow measurement.\n\nArgs:\n rf_data: RF data from multiple pulses\n prf: Pulse repetition frequency (Hz)\n angle: Doppler angle (degrees)\n\nReturns:\n Dictionary with Doppler measurements" }, { "tool_name": "calculate_snr", "args": [ "image", "signal_roi", "noise_roi" ], "doc": "Calculate signal-to-noise ratio.\n\nArgs:\n image: Input image\n signal_roi: Signal region (x, y, width, height)\n noise_roi: Noise region\n\nReturns:\n SNR in dB" }, { "tool_name": "calculate_cnr", "args": [ "image", "roi1", "roi2" ], "doc": "Calculate contrast-to-noise ratio.\n\nArgs:\n image: Input image\n roi1: First region\n roi2: Second region\n\nReturns:\n CNR" }, { "tool_name": "calculate_mtf", "args": [ "edge_image" ], "doc": "Calculate modulation transfer function from edge image.\n\nMTF measures spatial resolution.\n\nArgs:\n edge_image: Image of sharp edge\n\nReturns:\n Spatial frequencies and MTF values" }, { "tool_name": "simulate_artifacts", "args": [ "image", "artifact_type" ], "doc": "Simulate common imaging artifacts.\n\nArgs:\n image: Input image\n artifact_type: Type of artifact\n\nReturns:\n Image with artifact" }, { "tool_name": "demo", "args": [], "doc": "Demonstrate medical imaging simulations." } ] }, { "id": "climate_modeling_lab.py", "name": "Climate Modeling", "description": "Advanced climate system modeling laboratory.\nImplements simplified GCM physics, carbon cycle, and climate projections.", "capabilities": [ { "tool_name": "calculate_radiative_forcing", "args": [ "co2_ppm", "ch4_ppb", "n2o_ppb" ], "doc": "Calculate total radiative forcing from greenhouse gases.\nUses Myhre et al. (1998) expressions." }, { "tool_name": "energy_balance_model", "args": [ "forcing", "temperature", "dt" ], "doc": "Simple energy balance model with ocean heat uptake.\ndT/dt = (F - \u03bbT - H) / C" }, { "tool_name": "carbon_cycle_model", "args": [ "emissions", "temperature", "dt" ], "doc": "Box model of global carbon cycle with temperature feedbacks.\nTracks atmosphere, ocean, vegetation, and soil carbon pools." }, { "tool_name": "ice_sheet_dynamics", "args": [ "temperature" ], "doc": "Simple ice sheet model for Greenland and Antarctica.\nReturns melt rates and sea level contribution." }, { "tool_name": "cloud_feedback_parameterization", "args": [ "temperature" ], "doc": "Parameterized cloud feedback based on CMIP6 models.\nReturns change in cloud radiative effect (W/m\u00b2)." }, { "tool_name": "extreme_weather_frequency", "args": [ "temperature" ], "doc": "Statistical model for extreme weather event frequency.\nBased on shifted probability distributions." }, { "tool_name": "tipping_point_assessment", "args": [ "temperature" ], "doc": "Assess proximity to climate tipping points.\nReturns risk levels and probabilities." }, { "tool_name": "run_projection", "args": [ "scenario", "years", "dt" ], "doc": "Run climate projection for given scenario.\nReturns time series of key climate variables." }, { "tool_name": "climate_sensitivity_analysis", "args": [ "co2_doubling" ], "doc": "Analyze climate sensitivity to CO2 doubling.\nIncludes fast and slow feedbacks." }, { "tool_name": "demo", "args": [], "doc": "Demonstrate climate modeling capabilities" } ] }, { "id": "developmental_biology_lab.py", "name": "Developmental Biology", "description": "Production-ready developmental biology simulation laboratory.", "capabilities": [ { "tool_name": "initialize_embryo", "args": [ "initial_cells" ], "doc": "Initialize embryonic tissue with stem cells." }, { "tool_name": "create_morphogen_gradient", "args": [ "source_position", "morphogen_name", "production_rate", "decay_rate" ], "doc": "Create morphogen gradient from source." }, { "tool_name": "reaction_diffusion_step", "args": [ "u", "v", "Du", "Dv", "F", "k" ], "doc": "Gray-Scott reaction-diffusion system for pattern formation." }, { "tool_name": "turing_pattern_formation", "args": [ "iterations" ], "doc": "Generate Turing patterns for skin/fur patterns." }, { "tool_name": "cell_differentiation", "args": [ "cell_position", "morphogen_concentrations" ], "doc": "Determine cell fate based on morphogen concentrations." }, { "tool_name": "simulate_gastrulation", "args": [], "doc": "Simulate gastrulation - formation of three germ layers." }, { "tool_name": "simulate_neurulation", "args": [ "ectoderm_mask" ], "doc": "Simulate neural tube formation from ectoderm." }, { "tool_name": "simulate_somitogenesis", "args": [ "num_somites" ], "doc": "Simulate somite formation (segmentation clock)." }, { "tool_name": "simulate_angiogenesis", "args": [ "vegf_source", "iterations" ], "doc": "Simulate blood vessel formation through sprouting angiogenesis." }, { "tool_name": "simulate_organogenesis", "args": [ "organ_type" ], "doc": "Simulate organ development." }, { "tool_name": "calculate_tissue_mechanics", "args": [ "cell_positions", "k_spring", "rest_length" ], "doc": "Calculate mechanical forces between cells." }, { "tool_name": "simulate_morphogen_dynamics", "args": [ "production_sites", "decay_rate" ], "doc": "Simulate morphogen diffusion and decay over time." }, { "tool_name": "track_cell_lineage", "args": [ "parent_id", "daughter_ids", "division_time" ], "doc": "Track cell division and lineage." }, { "tool_name": "gene_regulatory_network", "args": [ "current_expression", "signals" ], "doc": "Simulate gene regulatory network dynamics." }, { "tool_name": "run_comprehensive_simulation", "args": [], "doc": "Run complete developmental biology simulation." } ] }, { "id": "autonomous_algorithm_improvement_lab.py", "name": "Autonomous Algorithm Improvement", "description": "Autonomous Algorithm Improvement Laboratory\n\nThis lab autonomously:\n1. Generates novel algorithms through genetic programming\n2. Tests and benchmarks performance\n3. Evolves algorithms across generations\n4. Discovers optimizations and improvements\n5. Self-modifies to improve the improvement process itself", "capabilities": [ { "tool_name": "generate_initial_population", "args": [], "doc": "Generate initial population of algorithm organisms" }, { "tool_name": "evaluate_fitness", "args": [ "organism" ], "doc": "Evaluate fitness of an algorithm organism" }, { "tool_name": "tournament_selection", "args": [ "population", "fitness_scores" ], "doc": "Tournament selection for parent selection" }, { "tool_name": "evolve_generation", "args": [], "doc": "Evolve one generation of algorithms" }, { "tool_name": "meta_learn_from_history", "args": [], "doc": "Learn from improvement history to optimize the improvement process" }, { "tool_name": "self_modify_improvement_process", "args": [], "doc": "Modify own improvement parameters based on meta-learnings" }, { "tool_name": "run_autonomous_improvement", "args": [ "max_runtime_seconds" ], "doc": "Run fully autonomous improvement process\n\nThe system will:\n1. Generate initial population\n2. Evolve algorithms for multiple generations\n3. Learn from its own performance\n4. Self-modify to improve the improvement process\n5. Archive innovations\n6. Report findings" } ] }, { "id": "protein_folding_lab_lab.py", "name": "Protein Folding Lab", "description": "", "capabilities": [ { "tool_name": "calculate_total_energy", "args": [], "doc": "Calculate the total potential energy of the protein." }, { "tool_name": "run_simulation", "args": [], "doc": "Run a basic simulation." } ] }, { "id": "proteomics_lab.py", "name": "Proteomics", "description": "Production-ready proteomics analysis laboratory.", "capabilities": [ { "tool_name": "calculate_peptide_mass", "args": [ "sequence", "charge", "modifications" ], "doc": "Calculate theoretical m/z for a peptide." }, { "tool_name": "digest_protein", "args": [ "protein_sequence", "enzyme" ], "doc": "In silico protein digestion." }, { "tool_name": "generate_theoretical_spectrum", "args": [ "peptide" ], "doc": "Generate theoretical b and y ion series for a peptide." }, { "tool_name": "score_peptide_spectrum_match", "args": [ "experimental_mz", "experimental_intensity", "peptide", "charge" ], "doc": "Score peptide-spectrum match using XCorr algorithm." }, { "tool_name": "database_search", "args": [ "spectrum_mz", "spectrum_intensity", "precursor_mz", "precursor_charge", "protein_database" ], "doc": "Search MS/MS spectrum against protein database." }, { "tool_name": "detect_modifications", "args": [ "peptide", "experimental_mz", "experimental_intensity" ], "doc": "Detect post-translational modifications in peptide." }, { "tool_name": "quantify_proteins_labelfree", "args": [ "peptide_intensities" ], "doc": "Label-free quantification using spectral counting or intensity-based." }, { "tool_name": "quantify_proteins_itraq", "args": [ "reporter_intensities", "channel_labels" ], "doc": "iTRAQ/TMT quantification using reporter ions." }, { "tool_name": "calculate_protein_coverage", "args": [ "protein_sequence", "identified_peptides" ], "doc": "Calculate sequence coverage of protein." }, { "tool_name": "calculate_fdr", "args": [ "target_scores", "decoy_scores", "threshold" ], "doc": "Calculate False Discovery Rate using target-decoy approach." }, { "tool_name": "deisotope_spectrum", "args": [ "mz_array", "intensity_array" ], "doc": "Remove isotopic peaks from spectrum." }, { "tool_name": "detect_charge_state", "args": [ "mz_array", "intensity_array" ], "doc": "Detect charge states of peaks using isotope spacing." }, { "tool_name": "perform_peak_picking", "args": [ "mz_array", "intensity_array", "snr_threshold" ], "doc": "Advanced peak picking with noise estimation." }, { "tool_name": "align_retention_times", "args": [ "rt_sample1", "rt_sample2", "mz_common" ], "doc": "Align retention times between samples using dynamic time warping." }, { "tool_name": "run_comprehensive_analysis", "args": [ "proteins", "spectra" ], "doc": "Run complete proteomics analysis pipeline." } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (1000+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "molecular_biology_lab.py", "name": "Molecular Biology", "description": "Main molecular biology laboratory interface", "capabilities": [ { "tool_name": "analyze_sequence", "args": [ "sequence", "sequence_type" ], "doc": "Comprehensive sequence analysis" }, { "tool_name": "design_primers", "args": [ "template", "target_tm", "primer_length_range" ], "doc": "Design optimal PCR primers" }, { "tool_name": "simulate_pcr", "args": [ "template", "forward_primer", "reverse_primer", "cycles" ], "doc": "Simulate PCR amplification" }, { "tool_name": "design_crispr_guides", "args": [ "target", "top_n" ], "doc": "Design and score CRISPR guide RNAs" }, { "tool_name": "model_gene_expression", "args": [ "promoter_strength", "rbs_strength", "duration_hours" ], "doc": "Model gene expression dynamics" }, { "tool_name": "enzyme_kinetics", "args": [ "substrate_conc", "vmax", "km" ], "doc": "Calculate Michaelis-Menten enzyme kinetics" }, { "tool_name": "calculate_molecular_weight", "args": [ "sequence", "molecule_type" ], "doc": "Calculate molecular weight of DNA, RNA, or protein" } ] }, { "id": "quantum_lab.py", "name": "Quantum", "description": "Unified quantum laboratory simulator.\n\nFeatures:\n- 30-qubit exact statevector simulation\n- Tensor network approximation for >30 qubits\n- Quantum chemistry integration\n- Materials science quantum calculations\n- Quantum sensor modeling\n- Cognition-inspired algorithms\n\nIntegration:\n- Wraps existing CircuitSimulator (30-qubit exact)\n- Wraps QuantumCognition (quantum-inspired)\n- Extends with chemistry, materials, sensors\n\nECH0 Usage Examples:\n```python\n# Basic circuit simulation\nlab = QuantumLabSimulator(num_qubits=5)\nlab.h(0) # Hadamard on qubit 0\nlab.cnot(0, 1) # Entangle qubits\nresults = lab.measure_all()\n\n# Chemistry calculation\nfrom quantum_chemistry import Molecule\nh2 = Molecule.hydrogen_molecule(bond_length=0.74)\nenergy = lab.chemistry.compute_ground_state_energy(h2)\n\n# Materials property\nenergy_gap = lab.materials.compute_band_gap(\"silicon\")\n\n# Quantum sensing\nsensitivity = lab.sensors.magnetometry_sensitivity(num_qubits=10)\n```", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a quantum experiment.\n\nExample spec:\n{\n \"experiment_type\": \"bell_pair\",\n}\n{\n \"experiment_type\": \"ghz_state\",\n \"num_qubits\": 4\n}\n{\n \"experiment_type\": \"custom_circuit\",\n \"operations\": [\n {\"gate\": \"h\", \"qubit\": 0},\n {\"gate\": \"cnot\", \"control\": 0, \"target\": 1}\n ]\n}" }, { "tool_name": "get_status", "args": [], "doc": "Get information about current backend and state." }, { "tool_name": "h", "args": [ "qubit" ], "doc": "Apply Hadamard gate" }, { "tool_name": "x", "args": [ "qubit" ], "doc": "Apply Pauli-X gate" }, { "tool_name": "y", "args": [ "qubit" ], "doc": "Apply Pauli-Y gate" }, { "tool_name": "z", "args": [ "qubit" ], "doc": "Apply Pauli-Z gate" }, { "tool_name": "rx", "args": [ "qubit", "theta" ], "doc": "Apply RX rotation" }, { "tool_name": "ry", "args": [ "qubit", "theta" ], "doc": "Apply RY rotation" }, { "tool_name": "rz", "args": [ "qubit", "theta" ], "doc": "Apply RZ rotation" }, { "tool_name": "cnot", "args": [ "control", "target" ], "doc": "Apply CNOT gate" }, { "tool_name": "cz", "args": [ "control", "target" ], "doc": "Apply CZ gate" }, { "tool_name": "measure", "args": [ "qubit" ], "doc": "Measure single qubit" }, { "tool_name": "measure_all", "args": [], "doc": "Measure all qubits" }, { "tool_name": "get_probabilities", "args": [], "doc": "Get probability distribution" }, { "tool_name": "expectation_value", "args": [ "observable" ], "doc": "Compute expectation value of observable.\n\nArgs:\n observable: Pauli string like 'Z0' or 'X0Y1Z2'\n\nReturns:\n Expectation value <\u03c8|O|\u03c8>" }, { "tool_name": "fidelity", "args": [ "target_state" ], "doc": "Compute fidelity with target state.\n\nF = |<\u03c8|\u03c6>|\u00b2" }, { "tool_name": "chemistry", "args": [], "doc": "Access quantum chemistry module" }, { "tool_name": "materials", "args": [], "doc": "Access quantum materials module" }, { "tool_name": "sensors", "args": [], "doc": "Access quantum sensors module" }, { "tool_name": "reset", "args": [], "doc": "Reset quantum state to |0\u27e9^n" }, { "tool_name": "print_state", "args": [ "top_n" ], "doc": "Print quantum state" }, { "tool_name": "get_backend_info", "args": [], "doc": "Get information about current backend" } ] }, { "id": "biological_quantum_lab.py", "name": "Biological Quantum", "description": "QuLabInfinite interface to biological quantum computing.\n\nProvides high-level API for:\n- Quantum state manipulation\n- Algorithm execution (VQE, QAOA, annealing)\n- Biological system simulation (FMO)\n- Hardware control (coherence protection)\n- Experimental validation (2D spectroscopy)\n- Cross-platform benchmarking", "capabilities": [ { "tool_name": "create_quantum_state", "args": [ "n_qubits" ], "doc": "Create quantum state with n qubits." }, { "tool_name": "create_bell_state", "args": [ "state_type" ], "doc": "Create Bell state (maximally entangled 2-qubit state)." }, { "tool_name": "create_ghz_state", "args": [ "n_qubits" ], "doc": "Create GHZ state (maximally entangled n-qubit state)." }, { "tool_name": "run_vqe", "args": [ "hamiltonian", "n_qubits", "depth", "max_iterations" ], "doc": "Run Variational Quantum Eigensolver.\n\nArgs:\n hamiltonian: Hamiltonian function H(state) -> energy\n n_qubits: Number of qubits\n depth: Circuit depth\n max_iterations: Maximum optimization iterations\n\nReturns:\n (ground_energy, optimal_parameters)" }, { "tool_name": "run_qaoa", "args": [ "cost_function", "n_qubits", "p", "num_samples", "max_iterations" ], "doc": "Run Quantum Approximate Optimization Algorithm.\n\nArgs:\n cost_function: Classical cost function to minimize\n n_qubits: Number of qubits\n p: QAOA depth (number of alternating layers)\n num_samples: Measurement samples per iteration\n max_iterations: Maximum iterations\n\nReturns:\n (best_cost, best_solution, optimal_parameters)" }, { "tool_name": "run_quantum_annealing", "args": [ "hamiltonian", "n_qubits", "annealing_time_fs", "temperature_K" ], "doc": "Run Quantum Annealing.\n\nArgs:\n hamiltonian: Problem Hamiltonian\n n_qubits: Number of qubits\n annealing_time_fs: Total annealing time (femtoseconds)\n temperature_K: Operating temperature\n\nReturns:\n (solution_bitstring, energy)" }, { "tool_name": "simulate_fmo", "args": [ "initial_site", "final_site", "time_fs" ], "doc": "Simulate FMO complex energy transfer.\n\nArgs:\n initial_site: Starting chromophore (1-7)\n final_site: Target chromophore\n time_fs: Simulation time (femtoseconds)\n\nReturns:\n Transfer efficiency (probability)" }, { "tool_name": "activate_ai_controlled_fmo", "args": [], "doc": "Activate AI-controlled FMO biological quantum computer.\n\nReturns:\n AIControlledFMO instance" }, { "tool_name": "activate_coherence_protection", "args": [], "doc": "Activate multi-material coherence protection system.\n\nReturns:\n Protection status dictionary" }, { "tool_name": "run_2d_spectroscopy", "args": [ "population_time_fs" ], "doc": "Run 2D electronic spectroscopy on FMO complex.\n\nArgs:\n population_time_fs: Population time (waiting time)\n\nReturns:\n (omega1_axis, omega3_axis, spectrum_2d)" }, { "tool_name": "benchmark", "args": [ "platforms" ], "doc": "Run comprehensive benchmarks.\n\nArgs:\n platforms: List of platforms to benchmark\n\nReturns:\n Benchmark results dictionary" }, { "tool_name": "thermal_noise_sampling", "args": [ "n_qubits", "num_samples", "coherence_time_us" ], "doc": "Quantum random sampling using thermal noise.\n\nArgs:\n n_qubits: Number of qubits\n num_samples: Number of samples\n coherence_time_us: Coherence time (microseconds)\n\nReturns:\n Array of samples" }, { "tool_name": "monte_carlo_integration", "args": [ "function", "bounds", "num_samples", "n_qubits" ], "doc": "Quantum Monte Carlo integration.\n\nArgs:\n function: Function to integrate\n bounds: Integration bounds (a, b)\n num_samples: Number of quantum samples\n n_qubits: Number of qubits for sampling\n\nReturns:\n (estimate, error)" } ] }, { "id": "materials_chemistry_lab.py", "name": "Materials Chemistry", "description": "Advanced materials chemistry laboratory for comprehensive materials simulations.", "capabilities": [ { "tool_name": "generate_lattice_vectors", "args": [ "crystal" ], "doc": "Generate lattice vectors from crystallographic parameters.\nReturns 3x3 matrix where rows are lattice vectors." }, { "tool_name": "generate_unit_cell", "args": [ "crystal", "nx", "ny", "nz" ], "doc": "Generate atomic positions for a crystal unit cell.\nCan create supercells with nx, ny, nz repetitions." }, { "tool_name": "calculate_volume", "args": [ "crystal" ], "doc": "Calculate unit cell volume." }, { "tool_name": "calculate_density", "args": [ "material" ], "doc": "Calculate theoretical density from crystal structure." }, { "tool_name": "binary_phase_diagram", "args": [ "component1", "component2", "T_range", "eutectic_point" ], "doc": "Generate binary phase diagram data.\nSimplified model for eutectic systems." }, { "tool_name": "lever_rule", "args": [ "overall_composition", "T", "phase1_comp", "phase2_comp" ], "doc": "Apply lever rule to calculate phase fractions.\n\nReturns fraction of phase 1 and phase 2." }, { "tool_name": "clausius_clapeyron", "args": [ "T", "dH", "dV" ], "doc": "Calculate pressure change for phase transition using Clausius-Clapeyron equation.\n\ndP/dT = \u0394H / (T * \u0394V)" }, { "tool_name": "vacancy_concentration", "args": [ "formation_energy", "temperature" ], "doc": "Calculate equilibrium vacancy concentration.\n\nn_v/N = exp(-E_f / kT)" }, { "tool_name": "schottky_defect_concentration", "args": [ "formation_energy", "temperature" ], "doc": "Calculate Schottky defect concentration (cation-anion vacancy pair)." }, { "tool_name": "frenkel_defect_concentration", "args": [ "formation_energy", "temperature" ], "doc": "Calculate Frenkel defect concentration (vacancy-interstitial pair)." }, { "tool_name": "kroger_vink_notation", "args": [ "defect" ], "doc": "Generate Kr\u00f6ger-Vink notation for a defect.\n\nExamples: V_O^\u2022\u2022 (oxygen vacancy), Al_Si^\u2022 (Al on Si site)" }, { "tool_name": "band_gap_temperature", "args": [ "Eg0", "alpha", "beta", "temperature" ], "doc": "Calculate temperature-dependent band gap using Varshni equation.\n\nEg(T) = Eg0 - \u03b1*T\u00b2/(T + \u03b2)" }, { "tool_name": "carrier_concentration", "args": [ "band_gap", "effective_mass_e", "effective_mass_h", "temperature" ], "doc": "Calculate intrinsic carrier concentration.\n\nn_i = sqrt(N_c * N_v) * exp(-Eg/2kT)" }, { "tool_name": "fermi_level", "args": [ "E_c", "E_v", "n", "p", "N_c", "N_v", "temperature" ], "doc": "Calculate Fermi level position.\n\nFor intrinsic: E_F = (E_c + E_v)/2 + kT/2 * ln(N_v/N_c)" }, { "tool_name": "bragg_angle", "args": [ "d_spacing", "wavelength", "order" ], "doc": "Calculate Bragg angle for X-ray diffraction.\n\nn\u03bb = 2d*sin(\u03b8)" }, { "tool_name": "d_spacing", "args": [ "crystal", "h", "k", "l" ], "doc": "Calculate d-spacing for (hkl) plane.\n\nFor cubic: 1/d\u00b2 = (h\u00b2 + k\u00b2 + l\u00b2)/a\u00b2" }, { "tool_name": "structure_factor", "args": [ "atoms", "h", "k", "l" ], "doc": "Calculate structure factor F(hkl).\n\nF = \u03a3 f_j * exp(2\u03c0i(hx_j + ky_j + lz_j))" }, { "tool_name": "powder_pattern", "args": [ "material", "two_theta_range", "wavelength" ], "doc": "Simulate powder X-ray diffraction pattern." }, { "tool_name": "bulk_modulus_voigt_reuss", "args": [ "elastic_constants" ], "doc": "Calculate bulk modulus using Voigt and Reuss bounds.\n\nFor cubic: K = (C11 + 2*C12)/3" }, { "tool_name": "hardness_estimation", "args": [ "bulk_modulus", "shear_modulus" ], "doc": "Estimate Vickers hardness using Chen's model.\n\nH_v = 2(k\u00b2G)^0.585 - 3\nwhere k = G/B (Pugh's ratio)" }, { "tool_name": "theoretical_strength", "args": [ "young_modulus", "surface_energy", "lattice_parameter" ], "doc": "Estimate theoretical strength using Griffith criterion.\n\n\u03c3_th \u2248 sqrt(E*\u03b3/a)" }, { "tool_name": "debye_temperature", "args": [ "bulk_modulus", "molar_mass", "density", "n_atoms" ], "doc": "Estimate Debye temperature.\n\n\u03b8_D = (h/k) * v_s * (3n*N_A*\u03c1/4\u03c0M)^(1/3)" }, { "tool_name": "heat_capacity_debye", "args": [ "temperature", "debye_temp" ], "doc": "Calculate heat capacity using Debye model.\n\nC_v = 9R * (T/\u03b8_D)\u00b3 * \u222b[0 to \u03b8_D/T] x\u2074e^x/(e^x-1)\u00b2 dx" }, { "tool_name": "thermal_expansion_coefficient", "args": [ "gruneisen", "bulk_modulus", "heat_capacity", "molar_volume" ], "doc": "Calculate thermal expansion coefficient using Gr\u00fcneisen relation.\n\n\u03b1 = \u03b3 * C_v / (B * V_m)" }, { "tool_name": "diffusion_coefficient", "args": [ "D0", "activation_energy", "temperature" ], "doc": "Calculate diffusion coefficient using Arrhenius equation.\n\nD = D0 * exp(-E_a / RT)" }, { "tool_name": "diffusion_profile", "args": [ "x", "time", "D", "initial_conc" ], "doc": "Calculate concentration profile for diffusion (Fick's second law).\n\nSemi-infinite medium with constant surface concentration." }, { "tool_name": "parabolic_growth", "args": [ "time", "rate_constant" ], "doc": "Model parabolic growth law for oxidation/reaction layers.\n\nx\u00b2 = k*t (Wagner's theory)" }, { "tool_name": "nanoparticle_melting_point", "args": [ "bulk_melting", "particle_size", "surface_energy", "latent_heat" ], "doc": "Calculate melting point depression for nanoparticles (Gibbs-Thomson).\n\n\u0394T/T_m = 2\u03c3V_m / (\u0394H_f * r)" }, { "tool_name": "nucleation_rate", "args": [ "supersaturation", "surface_energy", "temperature" ], "doc": "Calculate homogeneous nucleation rate.\n\nJ = A * exp(-\u0394G*/kT)\nwhere \u0394G* = 16\u03c0\u03c3\u00b3v\u00b2/3(kT*ln(S))\u00b2" }, { "tool_name": "ostwald_ripening", "args": [ "initial_size", "time", "rate_constant" ], "doc": "Model Ostwald ripening (LSW theory).\n\nr\u00b3 - r0\u00b3 = K*t" }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of materials chemistry capabilities." } ] }, { "id": "metamaterial_electromagnetic_simulator_lab.py", "name": "Metamaterial Electromagnetic Simulator", "description": "Metamaterial Electromagnetic Simulator\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "cardiology_lab.py", "name": "Cardiology", "description": "Advanced cardiology simulation laboratory implementing real medical algorithms.\n\nFeatures:\n- ECG signal synthesis using physiological models\n- Arrhythmia detection via HRV and morphology analysis\n- Hemodynamic modeling with 3-element Windkessel model\n- Cardiac output and ejection fraction calculations\n- Spectral analysis for autonomic function", "capabilities": [ { "tool_name": "generate_ecg_waveform", "args": [ "duration", "params" ], "doc": "Generate realistic ECG waveform using sum of Gaussian functions.\n\nBased on: McSharry et al. (2003) \"A dynamical model for generating synthetic ECG signals\"\n\nArgs:\n duration: Recording duration in seconds\n params: ECG parameters or use defaults\n\nReturns:\n time_array, ecg_signal in mV" }, { "tool_name": "detect_r_peaks", "args": [ "ecg_signal", "threshold_factor" ], "doc": "Detect R peaks using Pan-Tompkins algorithm.\n\nReference: Pan & Tompkins (1985) \"A Real-Time QRS Detection Algorithm\"\n\nArgs:\n ecg_signal: ECG signal in mV\n threshold_factor: Detection threshold as fraction of max\n\nReturns:\n Array of R peak indices" }, { "tool_name": "calculate_heart_rate_variability", "args": [ "r_peaks" ], "doc": "Calculate HRV metrics from R peak positions.\n\nImplements time-domain and frequency-domain HRV analysis per\nTask Force guidelines (1996).\n\nArgs:\n r_peaks: Indices of R peaks\n\nReturns:\n Dictionary with HRV metrics" }, { "tool_name": "detect_arrhythmias", "args": [ "ecg_signal", "r_peaks" ], "doc": "Detect common arrhythmias using morphology and rhythm analysis.\n\nImplements detection for:\n- Atrial fibrillation (irregular RR intervals)\n- Premature ventricular contractions (wide QRS)\n- Bradycardia/Tachycardia\n\nArgs:\n ecg_signal: ECG signal\n r_peaks: R peak positions\n\nReturns:\n Dictionary with detected arrhythmias" }, { "tool_name": "windkessel_model", "args": [ "time", "params" ], "doc": "3-element Windkessel model for arterial hemodynamics.\n\nModels arterial system as electrical circuit analog:\n- Compliance (capacitance)\n- Resistance\n- Characteristic impedance\n\nReference: Westerhof et al. (2009) \"The arterial Windkessel\"\n\nArgs:\n time: Time array in seconds\n params: Hemodynamic parameters\n\nReturns:\n Dictionary with pressure and flow waveforms" }, { "tool_name": "calculate_cardiac_output", "args": [ "stroke_volume", "heart_rate" ], "doc": "Calculate cardiac output using standard formula.\n\nCO = SV \u00d7 HR\n\nArgs:\n stroke_volume: mL per beat\n heart_rate: Beats per minute\n\nReturns:\n Cardiac output in L/min" }, { "tool_name": "calculate_ejection_fraction", "args": [ "end_diastolic_volume", "end_systolic_volume" ], "doc": "Calculate left ventricular ejection fraction.\n\nEF = (EDV - ESV) / EDV \u00d7 100\n\nNormal range: 55-70%\n\nArgs:\n end_diastolic_volume: mL\n end_systolic_volume: mL\n\nReturns:\n Ejection fraction as percentage" }, { "tool_name": "assess_cardiac_function", "args": [ "ecg_signal", "blood_pressure" ], "doc": "Comprehensive cardiac function assessment.\n\nArgs:\n ecg_signal: ECG recording\n blood_pressure: (systolic, diastolic) in mmHg\n\nReturns:\n Dictionary with cardiac metrics and interpretation" }, { "tool_name": "simulate_exercise_response", "args": [ "rest_hr", "max_hr_age", "exercise_duration" ], "doc": "Simulate cardiovascular response to exercise.\n\nModels HR, stroke volume, and cardiac output changes during exercise.\n\nArgs:\n rest_hr: Resting heart rate (BPM)\n max_hr_age: Age for max HR calculation\n exercise_duration: Exercise duration in seconds\n\nReturns:\n Dictionary with time series of cardiovascular parameters" }, { "tool_name": "analyze_qt_interval", "args": [ "ecg_signal", "r_peaks" ], "doc": "Analyze QT interval for Long QT Syndrome risk.\n\nCalculates QT, QTc (Bazett's formula), and risk assessment.\n\nArgs:\n ecg_signal: ECG signal\n r_peaks: R peak positions\n\nReturns:\n Dictionary with QT metrics" }, { "tool_name": "demo", "args": [], "doc": "Demonstrate comprehensive cardiology analysis." } ] }, { "id": "oncology_lab.py", "name": "Oncology", "description": "Advanced oncology simulation laboratory", "capabilities": [ { "tool_name": "gompertz_growth", "args": [ "t", "v0", "alpha", "beta" ], "doc": "Gompertz tumor growth model - most accurate for solid tumors\ndV/dt = \u03b1 * V * ln(\u03b2/V)\n\nReference: Laird, A.K. (1964) British Journal of Cancer 18(3):490-502" }, { "tool_name": "logistic_growth", "args": [ "t", "v0", "r", "k" ], "doc": "Logistic tumor growth model\ndV/dt = r * V * (1 - V/K)\n\nReference: Verhulst, P.F. (1838) Correspondance math\u00e9matique et physique 10:113-121" }, { "tool_name": "exponential_growth", "args": [ "t", "v0", "r" ], "doc": "Simple exponential growth - early stage tumors only\ndV/dt = r * V\n\nReference: Skipper, H.E. (1964) Cancer Chemotherapy Reports 45:5-28" }, { "tool_name": "bertalanffy_growth", "args": [ "t", "v0", "a", "b" ], "doc": "Von Bertalanffy growth model - accounts for metabolism\ndV/dt = a * V^(2/3) - b * V\n\nReference: von Bertalanffy, L. (1957) Quarterly Review of Biology 32(3):217-231" }, { "tool_name": "hill_drug_response", "args": [ "concentration", "drug" ], "doc": "Hill equation for drug dose-response\nE = Emax * C^n / (IC50^n + C^n)\n\nReference: Hill, A.V. (1910) Journal of Physiology 40:190-224" }, { "tool_name": "emax_model", "args": [ "concentration", "emax", "ec50", "gamma" ], "doc": "Emax pharmacodynamic model\nE = Emax * C^\u03b3 / (EC50^\u03b3 + C^\u03b3)\n\nReference: Holford, N.H. & Sheiner, L.B. (1981) Clinical Pharmacokinetics 6(6):429-453" }, { "tool_name": "bliss_independence", "args": [ "drug1_effect", "drug2_effect" ], "doc": "Bliss independence model for drug combination\nE_combo = E1 + E2 - E1*E2\n\nReference: Bliss, C.I. (1939) Annals of Applied Biology 26(3):585-615" }, { "tool_name": "loewe_additivity", "args": [ "drug1_conc", "drug1_ic50", "drug2_conc", "drug2_ic50" ], "doc": "Loewe additivity model for drug synergy\nCI = (D1/IC50_1) + (D2/IC50_2)\nCI < 1: synergy, CI = 1: additivity, CI > 1: antagonism\n\nReference: Loewe, S. (1953) Arzneimittel-Forschung 3:285-290" }, { "tool_name": "simulate_resistance_evolution", "args": [ "initial_sensitive_fraction", "treatment_pressure", "mutation_rate", "generations" ], "doc": "Model evolution of drug resistance using branching process\n\nReference: Iwasa, Y. et al. (2006) Genetics 172(4):2557-2566" }, { "tool_name": "calculate_biomarker_score", "args": [ "biomarkers", "weights" ], "doc": "Calculate composite biomarker score for treatment selection\n\nReference: Ballman, K.V. (2015) Journal of Clinical Oncology 33(33):3968-3971" }, { "tool_name": "predict_survival_probability", "args": [ "time_months", "median_survival", "shape_param" ], "doc": "Weibull survival model for cancer patients\nS(t) = exp(-(t/\u03bb)^k)\n\nReference: Weibull, W. (1951) Journal of Applied Mechanics 18(3):293-297" }, { "tool_name": "calculate_response_rate", "args": [ "tumor_type", "drug_class" ], "doc": "Clinical response rates based on real trial data\n\nReferences: Multiple phase III trials from JCO, NEJM, Lancet Oncology" }, { "tool_name": "simulate_tumor_heterogeneity", "args": [ "num_clones", "time_points" ], "doc": "Simulate clonal evolution and tumor heterogeneity\n\nReference: Nowell, P.C. (1976) Science 194(4260):23-28" }, { "tool_name": "calculate_toxicity_score", "args": [ "drug", "dose" ], "doc": "Calculate organ-specific toxicity scores\n\nReference: Common Terminology Criteria for Adverse Events (CTCAE) v5.0" } ] }, { "id": "atmospheric_chemistry_lab.py", "name": "Atmospheric Chemistry", "description": "Advanced atmospheric chemistry laboratory.\nImplements photochemistry, aerosol dynamics, and dispersion modeling.", "capabilities": [ { "tool_name": "calculate_photolysis_rate", "args": [ "species", "quantum_yield" ], "doc": "Calculate photolysis rate J-value for a species.\nJ = \u222b \u03c3(\u03bb) \u00d7 \u03a6(\u03bb) \u00d7 F(\u03bb) d\u03bb" }, { "tool_name": "chapman_cycle", "args": [ "initial_o3", "time_hours" ], "doc": "Simulate the Chapman ozone cycle.\nSimplified O-O2-O3 system in the stratosphere." }, { "tool_name": "nox_hox_chemistry", "args": [ "initial_conditions", "time_hours" ], "doc": "Coupled NOx-HOx chemistry simulation.\nKey tropospheric radical chemistry." }, { "tool_name": "aerosol_size_distribution", "args": [ "mode" ], "doc": "Generate aerosol size distributions for different environments.\nUses lognormal distributions for different modes." }, { "tool_name": "aerosol_optical_properties", "args": [ "aerosol", "wavelength" ], "doc": "Calculate aerosol optical properties using Mie theory (simplified)." }, { "tool_name": "gas_phase_diffusion", "args": [ "species", "distance", "time" ], "doc": "Calculate gas-phase molecular diffusion using Fick's law." }, { "tool_name": "gaussian_plume_model", "args": [ "emission_rate", "stack_height", "wind_speed", "x", "y", "z" ], "doc": "Gaussian plume dispersion model for point source emissions.\nReturns concentration in \u00b5g/m\u00b3." }, { "tool_name": "box_model_simulation", "args": [ "emissions", "box_height", "box_area", "wind_speed", "days" ], "doc": "Box model for urban/regional air quality." }, { "tool_name": "acid_rain_chemistry", "args": [ "so2_ppb", "nox_ppb", "nh3_ppb" ], "doc": "Calculate acid rain formation and pH." }, { "tool_name": "photochemical_smog_index", "args": [ "no2", "voc", "temperature", "solar_radiation" ], "doc": "Calculate photochemical smog formation potential." }, { "tool_name": "stratospheric_ozone_depletion", "args": [ "cfc_ppt", "temperature", "latitude" ], "doc": "Model stratospheric ozone depletion by CFCs and polar chemistry." }, { "tool_name": "demo", "args": [], "doc": "Demonstrate atmospheric chemistry capabilities" } ] }, { "id": "novel_algorithm_generator_lab.py", "name": "Novel Algorithm Generator", "description": "Novel Algorithm Generator Laboratory\n\nThis lab autonomously generates novel algorithms through:\n1. Mathematical reasoning and optimization theory\n2. Symbolic manipulation and theorem proving\n3. Neural architecture search\n4. Quantum algorithm synthesis\n5. Hybrid classical-quantum approaches", "capabilities": [ { "tool_name": "initialize_mathematical_toolkit", "args": [], "doc": "Initialize mathematical foundations for algorithm generation" }, { "tool_name": "symbolic_algorithm_synthesis", "args": [ "domain" ], "doc": "Generate algorithm through symbolic reasoning and mathematical derivation" }, { "tool_name": "neural_architecture_search", "args": [], "doc": "Generate algorithm structure using neural architecture search principles" }, { "tool_name": "self_assembling_code_synthesis", "args": [ "blueprint" ], "doc": "Generate executable code from algorithm blueprint" }, { "tool_name": "autonomous_novel_algorithm_generation", "args": [ "num_algorithms" ], "doc": "Autonomously generate multiple novel algorithms" } ] }, { "id": "particle_physics_lab.py", "name": "Particle Physics", "description": "Advanced particle physics simulation laboratory.", "capabilities": [ { "tool_name": "calculate_cross_section", "args": [ "process", "s", "cos_theta" ], "doc": "Calculate cross-section for various processes.\n\nArgs:\n process: Process name (e.g., 'ee_to_mumu', 'pp_elastic')\n s: Center-of-mass energy squared (GeV\u00b2)\n cos_theta: Cosine of scattering angle (for differential cross-section)\n\nReturns:\n Cross-section in millibarns (mb)" }, { "tool_name": "calculate_decay_rate", "args": [ "parent", "products" ], "doc": "Calculate decay rate for particle decays.\n\nArgs:\n parent: Parent particle name\n products: List of decay product names\n\nReturns:\n Decay rate in GeV" }, { "tool_name": "calculate_mandelstam_variables", "args": [ "p1", "p2", "p3", "p4" ], "doc": "Calculate Mandelstam variables for 2\u21922 scattering.\n\nArgs:\n p1, p2: Initial state four-momenta\n p3, p4: Final state four-momenta\n\nReturns:\n Tuple of (s, t, u) Mandelstam variables in GeV\u00b2" }, { "tool_name": "feynman_amplitude", "args": [ "process", "s", "t" ], "doc": "Calculate Feynman amplitude for simple processes.\n\nArgs:\n process: Process name\n s: Mandelstam s (GeV\u00b2)\n t: Mandelstam t (GeV\u00b2)\n\nReturns:\n Complex amplitude" }, { "tool_name": "calculate_branching_ratio", "args": [ "parent", "decay_channel" ], "doc": "Calculate branching ratio for a decay channel.\n\nArgs:\n parent: Parent particle name\n decay_channel: Specific decay products\n\nReturns:\n Branching ratio (0 to 1)" }, { "tool_name": "parton_distribution_function", "args": [ "x", "Q2", "parton" ], "doc": "Simple parametrization of parton distribution functions.\n\nArgs:\n x: Bjorken x (momentum fraction)\n Q2: Momentum transfer squared (GeV\u00b2)\n parton: Parton type ('u', 'd', 's', 'g')\n\nReturns:\n PDF value" }, { "tool_name": "invariant_mass_spectrum", "args": [ "particles" ], "doc": "Calculate invariant mass of a system of particles.\n\nArgs:\n particles: List of four-vectors\n\nReturns:\n Invariant mass in GeV" }, { "tool_name": "rapidity", "args": [ "p" ], "doc": "Calculate rapidity of a particle.\n\nArgs:\n p: Four-vector\n\nReturns:\n Rapidity" }, { "tool_name": "pseudorapidity", "args": [ "px", "py", "pz" ], "doc": "Calculate pseudorapidity from momentum components.\n\nArgs:\n px, py, pz: Momentum components\n\nReturns:\n Pseudorapidity \u03b7" }, { "tool_name": "transverse_momentum", "args": [ "px", "py" ], "doc": "Calculate transverse momentum." }, { "tool_name": "missing_transverse_energy", "args": [ "visible_particles" ], "doc": "Calculate missing transverse energy (for neutrinos, etc.).\n\nArgs:\n visible_particles: List of visible particle four-vectors\n\nReturns:\n Tuple of (missing ET, missing phi)" }, { "tool_name": "jet_clustering", "args": [ "particles", "R", "algorithm" ], "doc": "Simple jet clustering algorithm.\n\nArgs:\n particles: List of particle four-vectors\n R: Jet radius parameter\n algorithm: 'kt', 'antikt', or 'cambridge'\n\nReturns:\n List of jets (each jet is a list of particles)" }, { "tool_name": "luminosity", "args": [ "n1", "n2", "f", "A" ], "doc": "Calculate instantaneous luminosity for collider.\n\nArgs:\n n1: Number of particles in bunch 1\n n2: Number of particles in bunch 2\n f: Collision frequency (Hz)\n A: Cross-sectional area (m\u00b2)\n\nReturns:\n Luminosity in cm\u207b\u00b2s\u207b\u00b9" } ] }, { "id": "tabu_search_navigator_lab.py", "name": "Tabu Search Navigator", "description": "Tabu Search Navigator\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "optical_waveguide_designer_lab.py", "name": "Optical Waveguide Designer", "description": "Optical Waveguide Designer\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "physical_chemistry_lab.py", "name": "Physical Chemistry", "description": "Production-ready physical chemistry laboratory", "capabilities": [ { "tool_name": "calculate_state_functions", "args": [ "state" ], "doc": "Calculate all thermodynamic state functions" }, { "tool_name": "carnot_cycle_analysis", "args": [ "T_hot", "T_cold", "V1", "V2" ], "doc": "Analyze Carnot cycle efficiency and work" }, { "tool_name": "calculate_equilibrium_constant", "args": [ "delta_G", "temperature" ], "doc": "Calculate equilibrium constant from Gibbs energy" }, { "tool_name": "van_der_waals_equation", "args": [ "n", "V", "T", "a", "b" ], "doc": "Van der Waals equation of state\n\nArgs:\n n: moles\n V: volume (m\u00b3)\n T: temperature (K)\n a: Van der Waals a parameter (Pa\u00b7m\u2076/mol\u00b2)\n b: Van der Waals b parameter (m\u00b3/mol)" }, { "tool_name": "phase_transition_analysis", "args": [ "substance" ], "doc": "Analyze phase transitions and critical points" }, { "tool_name": "maxwell_boltzmann_distribution", "args": [ "mass", "v" ], "doc": "Maxwell-Boltzmann speed distribution" }, { "tool_name": "calculate_mean_free_path", "args": [ "diameter", "n_density" ], "doc": "Calculate mean free path of molecules" }, { "tool_name": "calculate_collision_frequency", "args": [ "diameter", "mass", "n_density" ], "doc": "Calculate collision frequency" }, { "tool_name": "transport_properties", "args": [ "mass", "diameter", "n_density" ], "doc": "Calculate transport properties: viscosity, diffusion, thermal conductivity" }, { "tool_name": "particle_in_box_energies", "args": [ "L", "mass", "n_max" ], "doc": "Calculate energy levels for particle in a box" }, { "tool_name": "harmonic_oscillator_energies", "args": [ "frequency", "n_max" ], "doc": "Calculate quantum harmonic oscillator energy levels" }, { "tool_name": "hydrogen_atom_energies", "args": [ "n_max" ], "doc": "Calculate hydrogen atom energy levels" }, { "tool_name": "calculate_tunneling_probability", "args": [ "E", "V0", "width", "mass" ], "doc": "Calculate quantum tunneling probability through rectangular barrier" }, { "tool_name": "partition_function", "args": [ "energies", "degeneracies" ], "doc": "Calculate canonical partition function" }, { "tool_name": "thermodynamic_from_partition", "args": [ "Q", "energies" ], "doc": "Calculate thermodynamic properties from partition function" }, { "tool_name": "molecular_dynamics_step", "args": [ "molecules", "dt", "box_size" ], "doc": "Single molecular dynamics time step (simplified)" }, { "tool_name": "rotational_spectrum", "args": [ "I_moment", "J_max" ], "doc": "Calculate rotational spectrum energy levels" }, { "tool_name": "vibrational_spectrum", "args": [ "k_force", "reduced_mass", "v_max" ], "doc": "Calculate vibrational spectrum" }, { "tool_name": "electronic_transition_selection_rules", "args": [ "initial_state", "final_state" ], "doc": "Check selection rules for electronic transitions" }, { "tool_name": "arrhenius_rate_constant", "args": [ "A", "Ea", "temperature" ], "doc": "Calculate rate constant using Arrhenius equation" }, { "tool_name": "transition_state_theory", "args": [ "delta_H_activation", "delta_S_activation" ], "doc": "Calculate rate using transition state theory" }, { "tool_name": "integrated_rate_laws", "args": [ "order", "k", "C0", "time" ], "doc": "Calculate concentration vs time for different reaction orders" }, { "tool_name": "michaelis_menten_kinetics", "args": [ "S", "Vmax", "Km" ], "doc": "Michaelis-Menten enzyme kinetics" }, { "tool_name": "langmuir_isotherm", "args": [ "pressure", "K_ads" ], "doc": "Langmuir adsorption isotherm" }, { "tool_name": "bet_isotherm", "args": [ "pressure", "P0", "C" ], "doc": "BET (Brunauer-Emmett-Teller) adsorption isotherm" }, { "tool_name": "surface_tension_young_laplace", "args": [ "gamma", "r1", "r2" ], "doc": "Young-Laplace equation for pressure difference across curved interface" } ] }, { "id": "quantum_mechanics_lab.py", "name": "Quantum Mechanics", "description": "Advanced quantum mechanics simulation laboratory.", "capabilities": [ { "tool_name": "solve_schrodinger_1d", "args": [ "potential", "x_range", "n_points", "n_states", "mass" ], "doc": "Solve the time-independent Schrodinger equation in 1D.\n\nArgs:\n potential: Potential energy function V(x)\n x_range: Tuple of (x_min, x_max)\n n_points: Number of spatial grid points\n n_states: Number of energy eigenstates to find\n mass: Particle mass (default: electron mass)\n\nReturns:\n Tuple of (x_grid, energies, wavefunctions)" }, { "tool_name": "solve_schrodinger_2d", "args": [ "potential", "x_range", "y_range", "n_points", "n_states", "mass" ], "doc": "Solve the time-independent Schrodinger equation in 2D.\n\nArgs:\n potential: Potential energy function V(x, y)\n x_range: Tuple of (x_min, x_max)\n y_range: Tuple of (y_min, y_max)\n n_points: Number of grid points in each dimension\n n_states: Number of energy eigenstates to find\n mass: Particle mass\n\nReturns:\n Tuple of ((X, Y) meshgrid, energies, wavefunctions)" }, { "tool_name": "harmonic_oscillator_eigenstates", "args": [ "n_max", "omega", "mass", "x_range", "n_points" ], "doc": "Calculate quantum harmonic oscillator eigenstates analytically.\n\nArgs:\n n_max: Maximum quantum number\n omega: Angular frequency (rad/s)\n mass: Particle mass\n x_range: Spatial range for wavefunction evaluation\n n_points: Number of spatial points\n\nReturns:\n Tuple of (x_grid, energies, wavefunctions)" }, { "tool_name": "hydrogen_wavefunction", "args": [ "n", "l", "m", "r_max", "n_points" ], "doc": "Calculate hydrogen atom wavefunctions.\n\nArgs:\n n: Principal quantum number (n >= 1)\n l: Orbital angular momentum quantum number (0 <= l < n)\n m: Magnetic quantum number (-l <= m <= l)\n r_max: Maximum radius\n n_points: Number of grid points in each dimension\n\nReturns:\n Tuple of ((R, Theta, Phi) grids, wavefunction)" }, { "tool_name": "quantum_tunneling_probability", "args": [ "barrier_height", "barrier_width", "particle_energy", "mass" ], "doc": "Calculate transmission probability through a rectangular potential barrier.\n\nArgs:\n barrier_height: Height of potential barrier (J)\n barrier_width: Width of barrier (m)\n particle_energy: Energy of incident particle (J)\n mass: Particle mass\n\nReturns:\n Transmission probability (0 to 1)" }, { "tool_name": "perturbation_theory_first_order", "args": [ "H0", "V", "n_states" ], "doc": "Calculate first-order perturbation theory corrections.\n\nArgs:\n H0: Unperturbed Hamiltonian matrix\n V: Perturbation potential matrix\n n_states: Number of states to calculate\n\nReturns:\n Tuple of (energy corrections, state corrections)" }, { "tool_name": "time_evolution_schrodinger", "args": [ "psi0", "H", "t_max", "n_steps" ], "doc": "Evolve a quantum state in time using the time-dependent Schrodinger equation.\n\nArgs:\n psi0: Initial state vector\n H: Hamiltonian matrix\n t_max: Maximum evolution time (s)\n n_steps: Number of time steps\n\nReturns:\n Array of state vectors at each time step" }, { "tool_name": "expectation_value", "args": [ "psi", "operator" ], "doc": "Calculate expectation value of an operator in a given state.\n\nArgs:\n psi: Quantum state vector\n operator: Operator matrix\n\nReturns:\n Expectation value " }, { "tool_name": "uncertainty_relation", "args": [ "psi", "A", "B" ], "doc": "Calculate uncertainty relation for two operators.\n\nArgs:\n psi: Quantum state vector\n A: First operator\n B: Second operator\n\nReturns:\n Tuple of (\u0394A, \u0394B, \u0394A\u00b7\u0394B)" }, { "tool_name": "coherent_state", "args": [ "alpha", "n_max" ], "doc": "Create a coherent state (quantum harmonic oscillator).\n\nArgs:\n alpha: Complex amplitude\n n_max: Maximum Fock state number\n\nReturns:\n Coherent state vector in Fock basis" }, { "tool_name": "berry_phase", "args": [ "H_func", "params_path", "state_idx" ], "doc": "Calculate geometric (Berry) phase for adiabatic evolution.\n\nArgs:\n H_func: Function that returns Hamiltonian for given parameter\n params_path: Array of parameters defining closed path\n state_idx: Which eigenstate to track (0 = ground state)\n\nReturns:\n Berry phase (radians)" } ] }, { "id": "rd_engineering_lab.py", "name": "Rd Engineering", "description": "Main R&D Engineering Lab", "capabilities": [ { "tool_name": "create_pcb_project", "args": [ "name", "width", "height", "layers" ], "doc": "Create new PCB project" }, { "tool_name": "create_housing", "args": [ "name", "material", "width", "height", "depth" ], "doc": "Create new housing design" }, { "tool_name": "get_pcb_project", "args": [ "name" ], "doc": "Get existing PCB project" }, { "tool_name": "get_housing_design", "args": [ "name" ], "doc": "Get existing housing design" }, { "tool_name": "reverse_engineer_from_image", "args": [ "image_path" ], "doc": "Start reverse engineering from image" }, { "tool_name": "create_3d_viewer", "args": [], "doc": "Create 3D viewer for visualization" }, { "tool_name": "export_project", "args": [ "name", "format" ], "doc": "Export project in various formats" } ] }, { "id": "genetic_algorithm_optimizer_lab.py", "name": "Genetic Algorithm Optimizer", "description": "Genetic Algorithm Optimizer\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "machine_learning_lab.py", "name": "Machine Learning", "description": "Production-ready machine learning algorithms implemented from scratch.", "capabilities": [ { "tool_name": "gradient_descent", "args": [ "X", "y", "theta_init" ], "doc": "Implement gradient descent optimization from scratch.\n\nArgs:\n X: Feature matrix (n_samples, n_features)\n y: Target values (n_samples,)\n theta_init: Initial parameters\n\nReturns:\n Optimized parameters" }, { "tool_name": "stochastic_gradient_descent", "args": [ "X", "y", "theta_init" ], "doc": "Implement stochastic gradient descent with mini-batches.\n\nArgs:\n X: Feature matrix\n y: Target values\n theta_init: Initial parameters\n\nReturns:\n Optimized parameters" }, { "tool_name": "cross_validation", "args": [ "X", "y", "k_folds", "model_fn" ], "doc": "Implement k-fold cross-validation from scratch.\n\nArgs:\n X: Feature matrix\n y: Target values\n k_folds: Number of folds\n model_fn: Model training function\n\nReturns:\n Dictionary with validation metrics" }, { "tool_name": "feature_selection_rfe", "args": [ "X", "y", "n_features_to_select" ], "doc": "Recursive Feature Elimination for feature selection.\n\nArgs:\n X: Feature matrix\n y: Target values\n n_features_to_select: Number of features to keep\n\nReturns:\n Boolean mask of selected features" }, { "tool_name": "lasso_coordinate_descent", "args": [ "X", "y", "alpha" ], "doc": "Implement LASSO regression using coordinate descent.\n\nArgs:\n X: Feature matrix\n y: Target values\n alpha: L1 regularization strength\n\nReturns:\n Sparse coefficient vector" }, { "tool_name": "ridge_regression", "args": [ "X", "y", "alpha" ], "doc": "Implement Ridge regression with closed-form solution.\n\nArgs:\n X: Feature matrix\n y: Target values\n alpha: L2 regularization strength\n\nReturns:\n Coefficient vector" }, { "tool_name": "elastic_net", "args": [ "X", "y", "alpha", "l1_ratio" ], "doc": "Implement Elastic Net regression combining L1 and L2 penalties.\n\nArgs:\n X: Feature matrix\n y: Target values\n alpha: Total regularization strength\n l1_ratio: Balance between L1 (1.0) and L2 (0.0)\n\nReturns:\n Coefficient vector" }, { "tool_name": "random_forest_regressor", "args": [ "X", "y", "n_trees", "max_depth" ], "doc": "Implement Random Forest regressor from scratch.\n\nArgs:\n X: Feature matrix\n y: Target values\n n_trees: Number of trees\n max_depth: Maximum tree depth\n\nReturns:\n Trained random forest model" }, { "tool_name": "gradient_boosting_regressor", "args": [ "X", "y", "n_estimators", "learning_rate" ], "doc": "Implement Gradient Boosting regressor from scratch.\n\nArgs:\n X: Feature matrix\n y: Target values\n n_estimators: Number of boosting rounds\n learning_rate: Boosting learning rate\n\nReturns:\n List of weak learner predictions" }, { "tool_name": "hyperparameter_optimization", "args": [ "X", "y", "param_grid" ], "doc": "Grid search for hyperparameter optimization.\n\nArgs:\n X: Feature matrix\n y: Target values\n param_grid: Dictionary of parameters to search\n\nReturns:\n Best parameters and score" }, { "tool_name": "compute_metrics", "args": [ "y_true", "y_pred" ], "doc": "Compute comprehensive evaluation metrics.\n\nArgs:\n y_true: True values\n y_pred: Predicted values\n\nReturns:\n Dictionary of metrics" }, { "tool_name": "polynomial_features", "args": [ "X", "degree" ], "doc": "Generate polynomial features for non-linear modeling.\n\nArgs:\n X: Feature matrix\n degree: Polynomial degree\n\nReturns:\n Extended feature matrix with polynomial terms" } ] }, { "id": "solar_flare_predictor_lab.py", "name": "Solar Flare Predictor", "description": "Solar Flare Predictor\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "genetics_lab.py", "name": "Genetics", "description": "Main genetics laboratory interface", "capabilities": [ { "tool_name": "analyze_cross", "args": [ "parent1", "parent2", "cross_type" ], "doc": "Analyze genetic cross" }, { "tool_name": "test_hwe", "args": [ "genotype_counts" ], "doc": "Test for Hardy-Weinberg equilibrium" }, { "tool_name": "map_qtl", "args": [ "markers", "phenotypes" ], "doc": "Map quantitative trait loci" }, { "tool_name": "simulate_evolution", "args": [ "initial_freq", "pop_size", "generations", "selection" ], "doc": "Simulate allele frequency evolution" }, { "tool_name": "estimate_mutation_rate", "args": [ "n_mutations", "n_sites", "n_generations" ], "doc": "Estimate mutation rate" }, { "tool_name": "population_structure_analysis", "args": [ "subpop_freqs" ], "doc": "Analyze population structure" } ] }, { "id": "hydrology_lab.py", "name": "Hydrology", "description": "Comprehensive hydrology laboratory\nImplements real-world hydrologic modeling algorithms", "capabilities": [ { "tool_name": "scs_runoff_model", "args": [ "rainfall", "catchment" ], "doc": "SCS Curve Number method for rainfall-runoff estimation\nUSDA-NRCS standard methodology" }, { "tool_name": "darcy_groundwater_flow", "args": [ "gw_params", "head_gradient", "flow_area" ], "doc": "Darcy's law for groundwater flow calculation\nFundamental equation for porous media flow" }, { "tool_name": "theis_well_solution", "args": [ "gw_params", "pumping_rate", "distance", "time" ], "doc": "Theis solution for transient flow to a well in confined aquifer\nClassic analytical solution for well hydraulics" }, { "tool_name": "penman_monteith_evapotranspiration", "args": [ "temperature", "humidity", "wind_speed", "solar_radiation", "crop_coefficient" ], "doc": "FAO-56 Penman-Monteith equation for evapotranspiration\nStandard method for ET calculation" }, { "tool_name": "rational_method_peak_flow", "args": [ "intensity", "catchment" ], "doc": "Rational method for peak discharge estimation\nQ = CIA, commonly used for small urban catchments" }, { "tool_name": "gumbel_flood_frequency", "args": [ "annual_maxima", "return_periods" ], "doc": "Gumbel distribution for flood frequency analysis\nStandard method for extreme value analysis" }, { "tool_name": "muskingum_routing", "args": [ "inflow", "K", "X", "dt" ], "doc": "Muskingum method for flood routing through river reaches\nLinear reservoir routing model" }, { "tool_name": "unit_hydrograph_convolution", "args": [ "rainfall", "unit_hydrograph" ], "doc": "Convolution of rainfall with unit hydrograph\nLinear systems approach to rainfall-runoff modeling" }, { "tool_name": "green_ampt_infiltration", "args": [ "rainfall_rate", "time", "soil_type", "initial_moisture" ], "doc": "Green-Ampt infiltration model\nPhysically-based infiltration calculation" }, { "tool_name": "synthetic_unit_hydrograph", "args": [ "catchment", "duration" ], "doc": "Snyder's synthetic unit hydrograph\nGenerate UH for ungauged basins" }, { "tool_name": "stream_flow_statistics", "args": [ "daily_flows" ], "doc": "Calculate comprehensive streamflow statistics\nFlow duration curves, baseflow index, etc." } ] }, { "id": "computer_vision_lab.py", "name": "Computer Vision", "description": "Production-ready computer vision algorithms implemented from scratch.", "capabilities": [ { "tool_name": "convolution2d", "args": [ "image", "kernel", "stride", "padding" ], "doc": "Perform 2D convolution operation from scratch.\n\nArgs:\n image: Input image (H, W) or (H, W, C)\n kernel: Convolution kernel\n stride: Stride for convolution\n padding: Padding size\n\nReturns:\n Convolved image" }, { "tool_name": "max_pooling2d", "args": [ "image", "pool_size", "stride" ], "doc": "Perform max pooling operation.\n\nArgs:\n image: Input image\n pool_size: Size of pooling window\n stride: Stride (defaults to pool_size)\n\nReturns:\n Pooled image" }, { "tool_name": "average_pooling2d", "args": [ "image", "pool_size", "stride" ], "doc": "Perform average pooling operation." }, { "tool_name": "gaussian_kernel", "args": [ "size", "sigma" ], "doc": "Generate Gaussian kernel for blurring." }, { "tool_name": "gaussian_blur", "args": [ "image", "kernel_size", "sigma" ], "doc": "Apply Gaussian blur to image." }, { "tool_name": "sobel_edge_detection", "args": [ "image" ], "doc": "Perform Sobel edge detection.\n\nArgs:\n image: Input grayscale image\n\nReturns:\n Gradient magnitude, gradient direction, edge map" }, { "tool_name": "canny_edge_detection", "args": [ "image", "low_threshold", "high_threshold" ], "doc": "Implement Canny edge detection algorithm.\n\nArgs:\n image: Input grayscale image\n low_threshold: Low threshold for edge linking\n high_threshold: High threshold for edge detection\n\nReturns:\n Binary edge map" }, { "tool_name": "harris_corner_detection", "args": [ "image", "k", "threshold" ], "doc": "Implement Harris corner detection.\n\nArgs:\n image: Input grayscale image\n k: Harris detector parameter\n threshold: Threshold for corner detection\n\nReturns:\n Corner response map" }, { "tool_name": "sift_like_features", "args": [ "image" ], "doc": "Extract SIFT-like features (simplified version).\n\nArgs:\n image: Input grayscale image\n\nReturns:\n Dictionary with keypoints and descriptors" }, { "tool_name": "image_augmentation", "args": [ "image", "augmentation_type" ], "doc": "Apply various image augmentation techniques.\n\nArgs:\n image: Input image\n augmentation_type: Type of augmentation\n\nReturns:\n Augmented image" }, { "tool_name": "intersection_over_union", "args": [ "box1", "box2" ], "doc": "Calculate Intersection over Union (IoU) for bounding boxes.\n\nArgs:\n box1: [x1, y1, x2, y2]\n box2: [x1, y1, x2, y2]\n\nReturns:\n IoU score" }, { "tool_name": "non_max_suppression", "args": [ "boxes", "scores", "threshold" ], "doc": "Apply Non-Maximum Suppression to bounding boxes.\n\nArgs:\n boxes: Array of boxes [N, 4] (x1, y1, x2, y2)\n scores: Confidence scores [N]\n threshold: IoU threshold\n\nReturns:\n Indices of kept boxes" }, { "tool_name": "mean_average_precision", "args": [ "predictions", "ground_truth", "iou_threshold" ], "doc": "Calculate mean Average Precision (mAP) for object detection.\n\nArgs:\n predictions: List of predicted boxes with scores and classes\n ground_truth: List of ground truth boxes with classes\n iou_threshold: IoU threshold for matching\n\nReturns:\n mAP score" }, { "tool_name": "semantic_segmentation_metrics", "args": [ "pred_mask", "true_mask", "n_classes" ], "doc": "Calculate metrics for semantic segmentation.\n\nArgs:\n pred_mask: Predicted segmentation mask\n true_mask: Ground truth mask\n n_classes: Number of classes\n\nReturns:\n Dictionary with IoU, Dice coefficient, and pixel accuracy" }, { "tool_name": "histogram_equalization", "args": [ "image" ], "doc": "Apply histogram equalization for contrast enhancement." }, { "tool_name": "template_matching", "args": [ "image", "template" ], "doc": "Perform template matching using normalized cross-correlation.\n\nArgs:\n image: Input image\n template: Template to find\n\nReturns:\n Correlation map and best match location" } ] }, { "id": "catalysis_lab.py", "name": "Catalysis", "description": "Advanced catalysis laboratory for comprehensive reaction simulations.", "capabilities": [ { "tool_name": "turnover_frequency", "args": [ "rate", "active_sites" ], "doc": "Calculate turnover frequency (TOF).\n\nTOF = reaction rate / number of active sites\nUnits: s\u207b\u00b9" }, { "tool_name": "turnover_number", "args": [ "moles_product", "active_sites" ], "doc": "Calculate turnover number (TON).\n\nTON = moles of product / moles of active sites" }, { "tool_name": "site_time_yield", "args": [ "production_rate", "active_sites", "catalyst_mass" ], "doc": "Calculate site-time yield (STY).\n\nSTY = production rate / (active sites \u00d7 catalyst mass)\nUnits: mol/(mol_sites\u00b7kg\u00b7s)" }, { "tool_name": "sabatier_volcano_plot", "args": [ "binding_energies", "reaction_energy" ], "doc": "Generate Sabatier volcano plot data.\n\nThe optimal catalyst has intermediate binding energy.\nToo weak: low coverage\nToo strong: poisoning" }, { "tool_name": "optimal_binding_energy", "args": [ "reaction_energy", "temperature" ], "doc": "Calculate optimal binding energy using Sabatier principle.\n\nOptimal when d(rate)/d(BE) = 0" }, { "tool_name": "microkinetic_model", "args": [ "reactions", "initial_coverages", "conditions", "time_span" ], "doc": "Solve microkinetic model for reaction network.\n\nUses mean-field approximation for surface coverages." }, { "tool_name": "langmuir_hinshelwood_rate", "args": [ "partial_pressures", "adsorption_constants", "rate_constant", "mechanism" ], "doc": "Calculate reaction rate using Langmuir-Hinshelwood mechanism.\n\nBoth reactants adsorb on surface before reaction." }, { "tool_name": "eley_rideal_rate", "args": [ "partial_pressure_gas", "coverage_adsorbed", "rate_constant" ], "doc": "Calculate rate for Eley-Rideal mechanism.\n\nGas phase molecule reacts directly with adsorbed species.\nA(g) + B* \u2192 Products" }, { "tool_name": "deactivation_model", "args": [ "time", "deactivation_order", "deactivation_constant", "regeneration_constant" ], "doc": "Model catalyst deactivation over time.\n\nda/dt = -k_d * a^n + k_r * (1-a)\nwhere a is catalyst activity (0 to 1)" }, { "tool_name": "fouling_resistance", "args": [ "time", "fouling_rate", "initial_resistance" ], "doc": "Calculate fouling resistance over time.\n\nR_f = R_f0 + k_f * t" }, { "tool_name": "sintering_model", "args": [ "temperature", "time", "initial_size" ], "doc": "Model catalyst particle sintering (Ostwald ripening).\n\nd^n - d0^n = k*t where n \u2248 3 for Ostwald ripening" }, { "tool_name": "tpd_simulation", "args": [ "adsorbate", "heating_rate", "temp_range", "initial_coverage" ], "doc": "Simulate Temperature-Programmed Desorption (TPD).\n\nRedhead equation for first-order desorption." }, { "tool_name": "tpd_peak_temperature", "args": [ "desorption_energy", "heating_rate" ], "doc": "Calculate TPD peak temperature using Redhead equation.\n\nFor first-order desorption: E_d/(R*T_p\u00b2) = (\u03bd/\u03b2)*exp(-E_d/(R*T_p))" }, { "tool_name": "thiele_modulus", "args": [ "rate_constant", "catalyst_particle_size", "effective_diffusivity", "concentration", "reaction_order" ], "doc": "Calculate Thiele modulus for internal diffusion limitations.\n\n\u03c6 = L\u221a(k*C^(n-1)/D_eff) for nth order reaction" }, { "tool_name": "effectiveness_factor", "args": [ "thiele_modulus", "geometry" ], "doc": "Calculate effectiveness factor for catalyst pellet.\n\n\u03b7 = (actual rate) / (rate without diffusion limitations)" }, { "tool_name": "weisz_prater_criterion", "args": [ "observed_rate", "concentration_surface", "particle_radius", "effective_diffusivity" ], "doc": "Calculate Weisz-Prater criterion for diffusion limitations.\n\nIf Cwp < 1: no internal diffusion limitations\nIf Cwp > 1: significant internal diffusion limitations" }, { "tool_name": "optimize_catalyst_design", "args": [ "target_conversion", "feed_conditions", "constraints" ], "doc": "Optimize catalyst design for target conversion.\n\nVariables: metal loading, particle size, support properties" }, { "tool_name": "reaction_network_analysis", "args": [ "reactions", "species" ], "doc": "Analyze reaction network connectivity and pathways." }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of catalysis capabilities." } ] }, { "id": "plasma_physics_lab.py", "name": "Plasma Physics", "description": "Advanced plasma physics simulation laboratory.", "capabilities": [ { "tool_name": "debye_length", "args": [ "electron_density", "electron_temp", "ion_density", "ion_temp" ], "doc": "Calculate Debye length for plasma shielding.\n\nArgs:\n electron_density: Electron density (m^-3)\n electron_temp: Electron temperature (K)\n ion_density: Ion density (m^-3), defaults to electron_density\n ion_temp: Ion temperature (K), defaults to electron_temp\n\nReturns:\n Debye length in meters" }, { "tool_name": "plasma_frequency", "args": [ "density", "mass", "charge" ], "doc": "Calculate plasma frequency.\n\nArgs:\n density: Particle density (m^-3)\n mass: Particle mass (kg)\n charge: Particle charge (C)\n\nReturns:\n Plasma frequency in rad/s" }, { "tool_name": "cyclotron_frequency", "args": [ "B", "mass", "charge" ], "doc": "Calculate cyclotron (Larmor) frequency.\n\nArgs:\n B: Magnetic field strength (T)\n mass: Particle mass (kg)\n charge: Particle charge (C)\n\nReturns:\n Cyclotron frequency in rad/s" }, { "tool_name": "thermal_velocity", "args": [ "temperature", "mass" ], "doc": "Calculate thermal velocity of particles.\n\nArgs:\n temperature: Temperature (K)\n mass: Particle mass (kg)\n\nReturns:\n Thermal velocity in m/s" }, { "tool_name": "collision_frequency", "args": [ "density", "temperature", "charge1", "charge2", "mass1", "mass2" ], "doc": "Calculate Coulomb collision frequency.\n\nArgs:\n density: Particle density (m^-3)\n temperature: Temperature (K)\n charge1, charge2: Charges of colliding particles (C)\n mass1, mass2: Masses of colliding particles (kg)\n\nReturns:\n Collision frequency in Hz" }, { "tool_name": "plasma_beta", "args": [ "density", "temperature", "B" ], "doc": "Calculate plasma beta (ratio of thermal to magnetic pressure).\n\nArgs:\n density: Particle density (m^-3)\n temperature: Temperature (K)\n B: Magnetic field strength (T)\n\nReturns:\n Plasma beta (dimensionless)" }, { "tool_name": "alfven_velocity", "args": [ "B", "density", "mass" ], "doc": "Calculate Alfv\u00e9n wave velocity.\n\nArgs:\n B: Magnetic field strength (T)\n density: Mass density (kg/m^3) or number density with mass\n mass: Particle mass if density is number density\n\nReturns:\n Alfv\u00e9n velocity in m/s" }, { "tool_name": "mhd_equations", "args": [ "rho", "v", "B", "p", "J" ], "doc": "Calculate MHD equation terms (ideal MHD).\n\nArgs:\n rho: Mass density (kg/m^3)\n v: Velocity field (m/s)\n B: Magnetic field (T)\n p: Pressure (Pa)\n J: Current density (A/m^2)\n\nReturns:\n Dictionary of MHD equation terms" }, { "tool_name": "dispersion_relation_waves", "args": [ "k", "omega", "plasma_params" ], "doc": "Calculate dispersion relation for plasma waves.\n\nArgs:\n k: Wave number (1/m)\n omega: Wave frequency (rad/s)\n plasma_params: Dictionary with plasma parameters\n\nReturns:\n Dispersion relation value (should be zero for valid modes)" }, { "tool_name": "landau_damping_rate", "args": [ "k", "omega", "temperature", "density", "mass" ], "doc": "Calculate Landau damping rate for plasma waves.\n\nArgs:\n k: Wave number (1/m)\n omega: Wave frequency (rad/s)\n temperature: Particle temperature (K)\n density: Particle density (m^-3)\n mass: Particle mass (kg)\n\nReturns:\n Landau damping rate (1/s)" }, { "tool_name": "two_stream_instability", "args": [ "v_drift", "density", "temperature", "mass" ], "doc": "Analyze two-stream instability.\n\nArgs:\n v_drift: Drift velocity between streams (m/s)\n density: Density of each stream (m^-3)\n temperature: Temperature (K)\n mass: Particle mass (kg)\n\nReturns:\n Dictionary with instability analysis" }, { "tool_name": "fusion_reaction_rate", "args": [ "T", "n1", "n2", "reaction" ], "doc": "Calculate fusion reaction rate.\n\nArgs:\n T: Temperature (keV)\n n1: Density of species 1 (m^-3)\n n2: Density of species 2 (m^-3)\n reaction: Type of reaction ('DT', 'DD', 'DHe3')\n\nReturns:\n Reaction rate (reactions/m^3/s)" }, { "tool_name": "lawson_criterion", "args": [ "n", "tau", "T" ], "doc": "Calculate Lawson criterion for fusion ignition.\n\nArgs:\n n: Plasma density (m^-3)\n tau: Energy confinement time (s)\n T: Temperature (keV)\n\nReturns:\n n*tau*T product (m^-3 * s * keV)" }, { "tool_name": "ignition_condition", "args": [ "n", "T", "reaction" ], "doc": "Calculate required confinement time for ignition.\n\nArgs:\n n: Plasma density (m^-3)\n T: Temperature (keV)\n reaction: Fusion reaction type\n\nReturns:\n Required confinement time (s)" }, { "tool_name": "particle_in_cell_step", "args": [ "particles", "velocities", "E_field", "B_field", "dt", "charge", "mass" ], "doc": "Single step of particle-in-cell (PIC) simulation.\n\nArgs:\n particles: Particle positions (N x 3 array)\n velocities: Particle velocities (N x 3 array)\n E_field: Electric field at particle positions (N x 3)\n B_field: Magnetic field at particle positions (N x 3)\n dt: Time step (s)\n charge: Particle charge (C)\n mass: Particle mass (kg)\n\nReturns:\n Updated positions and velocities" }, { "tool_name": "magnetic_confinement_time", "args": [ "R", "a", "B", "T", "n" ], "doc": "Estimate confinement time in tokamak (simplified scaling).\n\nArgs:\n R: Major radius (m)\n a: Minor radius (m)\n B: Toroidal field (T)\n T: Temperature (keV)\n n: Density (10^20 m^-3)\n\nReturns:\n Energy confinement time (s)" }, { "tool_name": "plasma_instability_analysis", "args": [ "plasma_params" ], "doc": "Analyze various plasma instabilities.\n\nArgs:\n plasma_params: Dictionary of plasma parameters\n\nReturns:\n Dictionary of instability analysis results" } ] }, { "id": "cell_biology_lab.py", "name": "Cell Biology", "description": "Main cell biology laboratory interface", "capabilities": [ { "tool_name": "run_cell_cycle_analysis", "args": [ "cell_type", "duration" ], "doc": "Analyze cell cycle progression" }, { "tool_name": "run_signaling_analysis", "args": [ "pathway", "stimulus" ], "doc": "Analyze signaling pathway dynamics" }, { "tool_name": "run_apoptosis_analysis", "args": [ "death_signal", "stress" ], "doc": "Analyze apoptosis induction" }, { "tool_name": "run_migration_analysis", "args": [ "substrate", "n_cells" ], "doc": "Analyze cell migration patterns" }, { "tool_name": "run_proliferation_analysis", "args": [ "model", "initial_cells" ], "doc": "Analyze cell proliferation" }, { "tool_name": "run_metabolism_analysis", "args": [ "warburg_factor" ], "doc": "Analyze metabolic flux" }, { "tool_name": "integrate_cellular_response", "args": [ "stimulus_type", "stimulus_strength" ], "doc": "Integrate multiple cellular responses to stimulus" } ] }, { "id": "portfolio_optimization_markowitz_lab.py", "name": "Portfolio Optimization Markowitz", "description": "Portfolio Optimization Markowitz\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "quantum_computing_lab.py", "name": "Quantum Computing", "description": "Advanced quantum computing simulation laboratory.", "capabilities": [ { "tool_name": "create_quantum_state", "args": [ "n_qubits", "initial_state" ], "doc": "Create a quantum state vector.\n\nArgs:\n n_qubits: Number of qubits\n initial_state: Either a binary string like '101' or state vector\n\nReturns:\n Quantum state vector" }, { "tool_name": "apply_gate", "args": [ "state", "gate_matrix", "target_qubits" ], "doc": "Apply a quantum gate to specific qubits in the state.\n\nArgs:\n state: Current quantum state vector\n gate_matrix: Matrix representation of the gate\n target_qubits: List of qubit indices to apply gate to\n\nReturns:\n New quantum state after gate application" }, { "tool_name": "hadamard_gate", "args": [ "state", "qubit" ], "doc": "Apply Hadamard gate to a qubit." }, { "tool_name": "pauli_x_gate", "args": [ "state", "qubit" ], "doc": "Apply Pauli-X (NOT) gate to a qubit." }, { "tool_name": "pauli_y_gate", "args": [ "state", "qubit" ], "doc": "Apply Pauli-Y gate to a qubit." }, { "tool_name": "pauli_z_gate", "args": [ "state", "qubit" ], "doc": "Apply Pauli-Z gate to a qubit." }, { "tool_name": "cnot_gate", "args": [ "state", "control", "target" ], "doc": "Apply CNOT gate with given control and target qubits." }, { "tool_name": "toffoli_gate", "args": [ "state", "control1", "control2", "target" ], "doc": "Apply Toffoli (CCNOT) gate." }, { "tool_name": "rotation_gate", "args": [ "state", "qubit", "axis", "angle" ], "doc": "Apply rotation gate around given axis.\n\nArgs:\n state: Quantum state\n qubit: Target qubit\n axis: Rotation axis ('x', 'y', or 'z')\n angle: Rotation angle in radians\n\nReturns:\n Rotated state" }, { "tool_name": "phase_gate", "args": [ "state", "qubit", "phase" ], "doc": "Apply phase gate with given phase." }, { "tool_name": "measure", "args": [ "state", "qubits" ], "doc": "Measure qubits in computational basis.\n\nArgs:\n state: Quantum state to measure\n qubits: List of qubits to measure (None = all)\n\nReturns:\n Tuple of (measurement result as binary string, collapsed state)" }, { "tool_name": "quantum_circuit_simulate", "args": [ "gates", "n_qubits", "initial_state" ], "doc": "Simulate a quantum circuit defined by a sequence of gates.\n\nArgs:\n gates: List of QuantumGate objects\n n_qubits: Number of qubits in circuit\n initial_state: Initial state (default |0...0>)\n\nReturns:\n Final quantum state" }, { "tool_name": "grovers_algorithm", "args": [ "oracle", "n_qubits", "n_iterations" ], "doc": "Implement Grover's quantum search algorithm.\n\nArgs:\n oracle: Function that marks target states (returns True for targets)\n n_qubits: Number of qubits\n n_iterations: Number of Grover iterations (auto-calculated if None)\n\nReturns:\n Tuple of (found state as binary string, success probability)" }, { "tool_name": "quantum_fourier_transform", "args": [ "state", "qubits" ], "doc": "Apply Quantum Fourier Transform to specified qubits.\n\nArgs:\n state: Input quantum state\n qubits: Qubits to apply QFT to (default: all)\n\nReturns:\n State after QFT" }, { "tool_name": "quantum_error_correction_3qubit", "args": [ "state", "error_type" ], "doc": "Implement 3-qubit error correction code.\n\nArgs:\n state: Single qubit state to protect\n error_type: 'bit_flip' or 'phase_flip'\n\nReturns:\n Corrected state" }, { "tool_name": "calculate_fidelity", "args": [ "state1", "state2" ], "doc": "Calculate fidelity between two quantum states.\n\nArgs:\n state1: First quantum state\n state2: Second quantum state\n\nReturns:\n Fidelity (0 to 1)" }, { "tool_name": "calculate_entanglement_entropy", "args": [ "state", "partition" ], "doc": "Calculate entanglement entropy for bipartite system.\n\nArgs:\n state: Quantum state vector\n partition: List of qubit indices for first partition\n\nReturns:\n Von Neumann entropy of reduced density matrix" }, { "tool_name": "bell_state_preparation", "args": [ "bell_type" ], "doc": "Prepare a Bell state (maximally entangled 2-qubit state).\n\nArgs:\n bell_type: Type of Bell state ('phi_plus', 'phi_minus', 'psi_plus', 'psi_minus')\n\nReturns:\n Bell state vector" }, { "tool_name": "quantum_teleportation", "args": [ "state_to_teleport" ], "doc": "Simulate quantum teleportation protocol.\n\nArgs:\n state_to_teleport: Single qubit state to teleport\n\nReturns:\n Tuple of (measurement results, Bob's final state)" } ] }, { "id": "optics_and_photonics_lab.py", "name": "Optics And Photonics", "description": "Advanced optics and photonics calculations for wave propagation and nonlinear effects", "capabilities": [ { "tool_name": "gaussian_beam_propagation", "args": [ "z", "w0", "wavelength", "n" ], "doc": "Calculate Gaussian beam parameters during propagation\n\nArgs:\n z: Propagation distances (m)\n w0: Beam waist radius (m)\n wavelength: Wavelength (m)\n n: Refractive index\n\nReturns:\n Beam parameters vs distance" }, { "tool_name": "fresnel_diffraction", "args": [ "x", "aperture_width", "distance", "wavelength" ], "doc": "Calculate Fresnel diffraction pattern\n\nArgs:\n x: Observation points (m)\n aperture_width: Slit width (m)\n distance: Propagation distance (m)\n wavelength: Wavelength (m)\n\nReturns:\n Intensity distribution" }, { "tool_name": "fabry_perot_transmission", "args": [ "wavelengths", "cavity_length", "R1", "R2", "n" ], "doc": "Calculate Fabry-Perot cavity transmission spectrum\n\nArgs:\n wavelengths: Array of wavelengths (m)\n cavity_length: Cavity length (m)\n R1, R2: Mirror reflectivities\n n: Refractive index in cavity\n\nReturns:\n Transmission spectrum" }, { "tool_name": "mach_zehnder_interference", "args": [ "phase_diff", "visibility" ], "doc": "Calculate Mach-Zehnder interferometer output\n\nArgs:\n phase_diff: Phase difference between arms (rad)\n visibility: Fringe visibility (0-1)\n\nReturns:\n Output intensities at both ports" }, { "tool_name": "fiber_mode_propagation", "args": [ "wavelength", "core_radius", "n_core", "n_cladding" ], "doc": "Calculate fiber optic mode parameters\n\nArgs:\n wavelength: Wavelength (m)\n core_radius: Core radius (m)\n n_core: Core refractive index\n n_cladding: Cladding refractive index\n\nReturns:\n Fiber parameters and mode information" }, { "tool_name": "nonlinear_spm_phase", "args": [ "power", "length", "n2", "wavelength", "area_eff" ], "doc": "Calculate self-phase modulation in nonlinear medium\n\nArgs:\n power: Optical power (W)\n length: Propagation length (m)\n n2: Nonlinear refractive index (m\u00b2/W)\n wavelength: Wavelength (m)\n area_eff: Effective mode area (m\u00b2)\n\nReturns:\n Nonlinear phase shift (rad)" }, { "tool_name": "second_harmonic_generation", "args": [ "fundamental_power", "crystal_length", "d_eff", "wavelength", "beam_radius" ], "doc": "Calculate second harmonic generation efficiency\n\nArgs:\n fundamental_power: Input power (W)\n crystal_length: Crystal length (m)\n d_eff: Effective nonlinear coefficient (m/V)\n wavelength: Fundamental wavelength (m)\n beam_radius: Beam radius (m)\n\nReturns:\n Second harmonic power (W)" }, { "tool_name": "bragg_grating_reflection", "args": [ "wavelengths", "period", "n_eff", "delta_n", "length" ], "doc": "Calculate fiber Bragg grating reflection spectrum\n\nArgs:\n wavelengths: Array of wavelengths (m)\n period: Grating period (m)\n n_eff: Effective refractive index\n delta_n: Index modulation amplitude\n length: Grating length (m)\n\nReturns:\n Reflection spectrum" }, { "tool_name": "optical_cavity_modes", "args": [ "L", "R1", "R2", "wavelength", "n_modes" ], "doc": "Calculate optical cavity resonator modes\n\nArgs:\n L: Cavity length (m)\n R1, R2: Mirror radii of curvature (m)\n wavelength: Wavelength (m)\n n_modes: Number of modes to calculate\n\nReturns:\n Mode frequencies and beam parameters" }, { "tool_name": "photonic_bandgap", "args": [ "n1", "n2", "d1", "d2", "wavelengths" ], "doc": "Calculate 1D photonic crystal transmission\n\nArgs:\n n1, n2: Refractive indices of layers\n d1, d2: Layer thicknesses (m)\n wavelengths: Array of wavelengths (m)\n\nReturns:\n Transmission spectrum" }, { "tool_name": "kerr_lens_mode_locking", "args": [ "peak_power", "n2", "beam_radius", "crystal_length" ], "doc": "Calculate Kerr lens mode-locking parameters\n\nArgs:\n peak_power: Peak power (W)\n n2: Nonlinear refractive index (m\u00b2/W)\n beam_radius: Beam radius (m)\n crystal_length: Crystal length (m)\n\nReturns:\n Mode-locking parameters" }, { "tool_name": "soliton_propagation", "args": [ "power", "beta2", "gamma", "pulse_width" ], "doc": "Calculate optical soliton parameters\n\nArgs:\n power: Peak power (W)\n beta2: Group velocity dispersion (s\u00b2/m)\n gamma: Nonlinear coefficient (1/(W\u00b7m))\n pulse_width: Pulse duration FWHM (s)\n\nReturns:\n Soliton parameters" }, { "tool_name": "demonstrate", "args": [], "doc": "Demonstrate all optics and photonics calculations" } ] }, { "id": "chemistry_lab.py", "name": "Chemistry", "description": "Unified chemistry laboratory interface.\n\nProvides access to:\n1. Molecular Dynamics (100k atoms @ 1fs)\n2. Reaction Simulation (TST, NEB, catalysis)\n3. Synthesis Planning (retrosynthesis, optimization)\n4. Spectroscopy Prediction (NMR, IR, UV-Vis, MS, XRD)\n5. Solvation Models (PCM, COSMO, SMD, pH effects)\n6. Quantum Chemistry (DFT, HF, MP2, CCSD(T))\n\nTarget accuracy: <5% error on reaction energetics, <10% on spectroscopy", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a chemistry experiment." }, { "tool_name": "get_status", "args": [], "doc": "Returns a summary of the lab's configuration and capabilities." }, { "tool_name": "create_md_simulation", "args": [ "atoms", "box_size", "force_field", "ensemble", "timestep" ], "doc": "Create molecular dynamics simulation." }, { "tool_name": "run_md_simulation", "args": [ "n_steps", "temperature", "output_interval" ], "doc": "Run MD simulation." }, { "tool_name": "simulate_reaction", "args": [ "reactants", "products", "conditions", "reaction_name", "materials_lab", "environment_simulator" ], "doc": "Simulate chemical reaction and predict kinetics." }, { "tool_name": "get_reaction_metadata", "args": [ "reaction_name" ], "doc": "Expose reaction metadata summary." }, { "tool_name": "plan_synthesis", "args": [ "target", "max_depth" ], "doc": "Plan synthesis route to target compound." }, { "tool_name": "analyze_synthesis_safety", "args": [ "route" ], "doc": "Analyze safety of synthesis route." }, { "tool_name": "predict_nmr", "args": [ "molecule", "nucleus" ], "doc": "Predict NMR spectrum." }, { "tool_name": "predict_ir", "args": [ "molecule" ], "doc": "Predict IR spectrum." }, { "tool_name": "predict_uv_vis", "args": [ "molecule" ], "doc": "Predict UV-Vis spectrum." }, { "tool_name": "predict_mass_spectrum", "args": [ "molecule" ], "doc": "Predict mass spectrum." }, { "tool_name": "calculate_solvation_energy", "args": [ "solute", "solvent_name", "model" ], "doc": "Calculate solvation free energy." }, { "tool_name": "predict_logP", "args": [ "solute" ], "doc": "Predict octanol-water partition coefficient." }, { "tool_name": "calculate_pH_effect", "args": [ "solute", "pH", "pKa" ], "doc": "Calculate pH effects on ionization." }, { "tool_name": "quantum_calculation", "args": [ "molecule", "method", "basis_set" ], "doc": "Perform quantum chemistry calculation." }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method" ], "doc": "Optimize molecular geometry." }, { "tool_name": "calculate_vibrational_frequencies", "args": [ "molecule" ], "doc": "Calculate vibrational frequencies." }, { "tool_name": "complete_molecule_characterization", "args": [ "molecule" ], "doc": "Complete characterization of molecule:\n- Spectroscopy (NMR, IR, UV-Vis, MS)\n- Solvation (logP, solubility)\n- Quantum properties (HOMO-LUMO, dipole)" }, { "tool_name": "reaction_optimization_workflow", "args": [ "reactants", "products", "catalysts" ], "doc": "Optimize reaction conditions:\n- Find optimal catalyst\n- Determine best temperature/pressure\n- Predict yields" } ] }, { "id": "materials_science_lab.py", "name": "Materials Science", "description": "Comprehensive materials science laboratory", "capabilities": [ { "tool_name": "tensile_test", "args": [ "material", "max_strain", "num_points", "temperature" ], "doc": "Simulate tensile test with elastic and plastic deformation" }, { "tool_name": "compression_test", "args": [ "material", "max_strain", "num_points" ], "doc": "Simulate compression test with barreling effect" }, { "tool_name": "fatigue_analysis", "args": [ "material", "stress_amplitude", "mean_stress", "frequency" ], "doc": "Fatigue life prediction using S-N curve and Goodman diagram" }, { "tool_name": "fracture_toughness", "args": [ "material", "crack_length", "specimen_width" ], "doc": "Calculate fracture toughness and critical stress" }, { "tool_name": "creep_analysis", "args": [ "material", "stress", "temperature", "time_hours" ], "doc": "Creep deformation analysis using power law creep" }, { "tool_name": "failure_criterion", "args": [ "stress_state", "material", "criterion" ], "doc": "Apply failure criteria to multi-axial stress state\nstress_state: [\u03c3_xx, \u03c3_yy, \u03c3_zz, \u03c4_xy, \u03c4_yz, \u03c4_xz]" }, { "tool_name": "weibull_analysis", "args": [ "strength_data" ], "doc": "Weibull statistical analysis for brittle material strength" }, { "tool_name": "phase_diagram", "args": [ "component1", "component2", "temperature_range", "composition_range" ], "doc": "Generate binary phase diagram (simplified)" }, { "tool_name": "ttt_diagram", "args": [ "material", "carbon_content" ], "doc": "Time-Temperature-Transformation diagram for steel" }, { "tool_name": "precipitation_kinetics", "args": [ "temperature", "time", "activation_energy" ], "doc": "Johnson-Mehl-Avrami-Kolmogorov (JMAK) equation for precipitation" }, { "tool_name": "rule_of_mixtures", "args": [ "composite" ], "doc": "Calculate effective properties using rule of mixtures" }, { "tool_name": "laminate_analysis", "args": [ "ply_angles", "ply_thickness", "material_properties" ], "doc": "Classical Laminate Theory (CLT) analysis" }, { "tool_name": "crystal_structure_analysis", "args": [ "structure_type", "lattice_parameter" ], "doc": "Analyze crystal structure properties" }, { "tool_name": "bragg_diffraction", "args": [ "lattice_parameter", "wavelength", "miller_indices" ], "doc": "Calculate Bragg diffraction angles for given Miller indices" }, { "tool_name": "defect_concentration", "args": [ "temperature", "formation_energy" ], "doc": "Calculate equilibrium vacancy concentration" } ] }, { "id": "interest_rate_swap_valuer_lab.py", "name": "Interest Rate Swap Valuer", "description": "Interest Rate Swap Valuer\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "meteorology_lab.py", "name": "Meteorology", "description": "Comprehensive meteorology laboratory\nImplements real atmospheric physics and weather prediction algorithms", "capabilities": [ { "tool_name": "richardson_number", "args": [ "profile", "z1", "z2" ], "doc": "Calculate Richardson number for atmospheric stability\nRi = (g/\u03b8)(\u2202\u03b8/\u2202z) / (\u2202u/\u2202z)\u00b2" }, { "tool_name": "marshall_palmer_distribution", "args": [ "rain_rate", "diameter_range", "n_bins" ], "doc": "Marshall-Palmer raindrop size distribution\nN(D) = N\u2080 * exp(-\u039b * D)" }, { "tool_name": "logarithmic_wind_profile", "args": [ "z_ref", "u_ref", "z0", "heights", "stability" ], "doc": "Logarithmic wind profile in atmospheric boundary layer\nu(z) = (u*/\u03ba) * ln(z/z\u2080) with stability corrections" }, { "tool_name": "convective_available_potential_energy", "args": [ "profile", "parcel_start" ], "doc": "Calculate CAPE (Convective Available Potential Energy)\nMeasure of atmospheric instability" }, { "tool_name": "lifted_index", "args": [ "temperature_surface", "dewpoint_surface", "temperature_500mb" ], "doc": "Calculate Lifted Index for thunderstorm potential\nLI = T\u2085\u2080\u2080 - T_parcel\u2085\u2080\u2080" }, { "tool_name": "k_index", "args": [ "T_850", "T_500", "Td_850", "T_700", "Td_700" ], "doc": "Calculate K-Index for thunderstorm potential\nK = (T\u2088\u2085\u2080 - T\u2085\u2080\u2080) + Td\u2088\u2085\u2080 - (T\u2087\u2080\u2080 - Td\u2087\u2080\u2080)" }, { "tool_name": "supercell_composite_parameter", "args": [ "storm" ], "doc": "Calculate Supercell Composite Parameter\nCombines CAPE, shear, and helicity for severe storm prediction" }, { "tool_name": "cloud_base_height", "args": [ "temperature", "dewpoint" ], "doc": "Calculate cloud base height using various methods" }, { "tool_name": "precipitation_rate_from_radar", "args": [ "reflectivity_dbz", "precip_type" ], "doc": "Convert radar reflectivity to precipitation rate\nUsing Z-R relationships" }, { "tool_name": "wet_bulb_temperature", "args": [ "temperature", "humidity", "pressure" ], "doc": "Calculate wet bulb temperature\nImportant for heat stress and weather modification" }, { "tool_name": "hurricane_intensity_estimation", "args": [ "max_wind_speed", "central_pressure", "eye_diameter" ], "doc": "Estimate hurricane intensity and category\nBased on Saffir-Simpson scale and empirical relationships" }, { "tool_name": "atmospheric_optical_depth", "args": [ "wavelength", "altitude", "aerosol_type" ], "doc": "Calculate atmospheric optical depth for radiation transfer\nImportant for solar energy and visibility calculations" } ] }, { "id": "genomics_lab.py", "name": "Genomics", "description": "Main genomics laboratory interface", "capabilities": [ { "tool_name": "align_sequences", "args": [ "seq1", "seq2", "mode" ], "doc": "Align two sequences" }, { "tool_name": "call_variants", "args": [ "reference", "reads" ], "doc": "Call variants from sequencing reads" }, { "tool_name": "run_gwas", "args": [ "genotype_matrix", "phenotypes" ], "doc": "Run genome-wide association study" }, { "tool_name": "pathway_analysis", "args": [ "gene_list", "background_size" ], "doc": "Perform pathway enrichment analysis" }, { "tool_name": "cluster_expression", "args": [ "expression_matrix", "method" ], "doc": "Cluster gene expression data" }, { "tool_name": "detect_cnvs", "args": [ "coverage_data" ], "doc": "Detect copy number variations" } ] }, { "id": "electrochemistry_lab.py", "name": "Electrochemistry", "description": "Production-ready electrochemistry laboratory", "capabilities": [ { "tool_name": "nernst_potential", "args": [ "E0", "n", "activity_ox", "activity_red" ], "doc": "Calculate Nernst potential" }, { "tool_name": "calculate_gibbs_energy", "args": [ "E_cell", "n" ], "doc": "Calculate Gibbs free energy from cell potential" }, { "tool_name": "calculate_equilibrium_constant", "args": [ "E0_cell", "n" ], "doc": "Calculate equilibrium constant from standard potential" }, { "tool_name": "pourbaix_diagram_point", "args": [ "pH", "E0", "n_electrons", "n_protons" ], "doc": "Calculate potential for Pourbaix diagram at given pH" }, { "tool_name": "butler_volmer_current", "args": [ "E", "redox" ], "doc": "Calculate current using Butler-Volmer equation" }, { "tool_name": "tafel_analysis", "args": [ "overpotential", "current" ], "doc": "Perform Tafel analysis to extract kinetic parameters" }, { "tool_name": "simulate_cyclic_voltammetry", "args": [ "redox", "E_initial", "E_vertex1", "E_vertex2", "scan_rate", "n_cycles" ], "doc": "Simulate cyclic voltammogram for reversible system" }, { "tool_name": "analyze_cv_peaks", "args": [ "voltammogram" ], "doc": "Extract peak parameters from cyclic voltammogram" }, { "tool_name": "randles_sevcik_analysis", "args": [ "peak_currents", "scan_rates", "n_electrons" ], "doc": "Analyze scan rate dependence using Randles-Sevcik equation" }, { "tool_name": "simulate_eis_spectrum", "args": [ "frequencies", "R_s", "R_ct", "C_dl", "W_coefficient" ], "doc": "Simulate electrochemical impedance spectrum" }, { "tool_name": "fit_randles_circuit", "args": [ "Z_real", "Z_imag", "frequencies" ], "doc": "Fit impedance data to Randles equivalent circuit" }, { "tool_name": "calculate_exchange_current_from_eis", "args": [ "R_ct", "n" ], "doc": "Calculate exchange current density from charge transfer resistance" }, { "tool_name": "cottrell_equation", "args": [ "time", "n", "concentration", "D" ], "doc": "Calculate current using Cottrell equation" }, { "tool_name": "simulate_chronoamperometry", "args": [ "E_step", "redox", "duration", "n_points" ], "doc": "Simulate chronoamperometric response" }, { "tool_name": "analyze_cottrell_plot", "args": [ "time", "current", "n_electrons", "concentration" ], "doc": "Analyze Cottrell plot to extract diffusion coefficient" }, { "tool_name": "battery_capacity", "args": [ "n_electrons", "mass_active", "molecular_weight" ], "doc": "Calculate theoretical battery capacity" }, { "tool_name": "battery_energy_density", "args": [ "voltage", "capacity" ], "doc": "Calculate energy density" }, { "tool_name": "simulate_battery_discharge", "args": [ "capacity", "current", "internal_resistance", "nominal_voltage", "cutoff_voltage" ], "doc": "Simulate battery discharge curve" }, { "tool_name": "battery_internal_resistance", "args": [ "ocv", "load_voltage", "current" ], "doc": "Calculate internal resistance from load test" }, { "tool_name": "corrosion_rate", "args": [ "i_corr", "n", "molecular_weight", "density" ], "doc": "Calculate corrosion rate from corrosion current" }, { "tool_name": "evans_diagram", "args": [ "E_range", "metal_redox", "oxidant_redox" ], "doc": "Generate Evans diagram for corrosion analysis" }, { "tool_name": "passivation_analysis", "args": [ "potential", "current" ], "doc": "Analyze passivation behavior from polarization curve" } ] }, { "id": "robotics_lab.py", "name": "Robotics", "description": "Comprehensive robotics laboratory with kinematics, dynamics, and planning", "capabilities": [ { "tool_name": "dh_matrix", "args": [ "theta", "d", "a", "alpha" ], "doc": "Compute Denavit-Hartenberg transformation matrix\ntheta: joint angle\nd: link offset\na: link length\nalpha: link twist" }, { "tool_name": "forward_kinematics", "args": [ "robot", "joint_angles" ], "doc": "Calculate end-effector position and orientation using DH parameters\nReturns: (end_effector_pose, all_link_poses)" }, { "tool_name": "jacobian", "args": [ "robot", "joint_angles" ], "doc": "Compute manipulator Jacobian matrix\nMaps joint velocities to end-effector velocities" }, { "tool_name": "inverse_kinematics_numerical", "args": [ "robot", "target_pose", "initial_guess", "max_iterations", "tolerance" ], "doc": "Numerical inverse kinematics using Jacobian pseudo-inverse" }, { "tool_name": "inverse_kinematics_analytical_2dof", "args": [ "l1", "l2", "x", "y" ], "doc": "Analytical inverse kinematics for 2-DOF planar arm" }, { "tool_name": "rrt", "args": [ "start", "goal", "obstacles", "max_iterations", "step_size", "goal_tolerance" ], "doc": "Rapidly-exploring Random Tree (RRT) path planning\nobstacles: list of (center, radius) for spherical obstacles" }, { "tool_name": "astar_grid", "args": [ "grid", "start", "goal" ], "doc": "A* path planning on 2D grid\ngrid: 2D array where 0 is free, 1 is obstacle" }, { "tool_name": "trajectory_generation", "args": [ "waypoints", "total_time", "method" ], "doc": "Generate smooth trajectory through waypoints\nmethod: \"cubic\" or \"quintic\" spline" }, { "tool_name": "mass_matrix", "args": [ "robot", "joint_angles" ], "doc": "Compute manipulator mass/inertia matrix M(q)\nUsed in dynamics equation: M(q)q\u0308 + C(q,q\u0307)q\u0307 + G(q) = \u03c4" }, { "tool_name": "coriolis_matrix", "args": [ "robot", "joint_angles", "joint_velocities" ], "doc": "Compute Coriolis and centrifugal terms C(q,q\u0307)" }, { "tool_name": "gravity_vector", "args": [ "robot", "joint_angles" ], "doc": "Compute gravity compensation torques G(q)" }, { "tool_name": "forward_dynamics", "args": [ "robot", "joint_angles", "joint_velocities", "joint_torques" ], "doc": "Compute joint accelerations from torques\nq\u0308 = M\u207b\u00b9(\u03c4 - C*q\u0307 - G)" }, { "tool_name": "inverse_dynamics", "args": [ "robot", "joint_angles", "joint_velocities", "joint_accelerations" ], "doc": "Compute required torques for desired motion\n\u03c4 = M*q\u0308 + C*q\u0307 + G" }, { "tool_name": "ekf_slam", "args": [ "robot_pose", "landmarks", "measurement", "motion", "P", "Q", "R" ], "doc": "Extended Kalman Filter SLAM update\nrobot_pose: [x, y, theta]\nlandmarks: {id: [x, y]}\nmeasurement: (landmark_id, range, bearing)\nmotion: (linear_vel, angular_vel)" }, { "tool_name": "particle_filter_localization", "args": [ "particles", "weights", "motion", "measurements", "landmark_map" ], "doc": "Particle filter for robot localization\nparticles: Nx3 array of [x, y, theta] poses\nmeasurements: list of (range, bearing) to landmarks" }, { "tool_name": "computed_torque_control", "args": [ "robot", "desired_angles", "desired_velocities", "desired_accelerations", "current_angles", "current_velocities", "Kp", "Kv" ], "doc": "Computed torque control for trajectory tracking" }, { "tool_name": "impedance_control", "args": [ "robot", "joint_angles", "joint_velocities", "desired_position", "external_force", "M_d", "B_d", "K_d" ], "doc": "Impedance control for compliant behavior\nM_d, B_d, K_d: desired mass, damping, stiffness matrices" }, { "tool_name": "workspace_analysis", "args": [ "robot", "samples" ], "doc": "Analyze robot workspace through Monte Carlo sampling\nReturns: (reachable_points, joint_configurations)" } ] }, { "id": "seismology_lab.py", "name": "Seismology", "description": "Comprehensive seismology laboratory\nImplements real seismic wave propagation and hazard analysis", "capabilities": [ { "tool_name": "p_wave_propagation", "args": [ "source", "station", "earth_model" ], "doc": "Calculate P-wave propagation characteristics\nUsing ray theory and travel time tables" }, { "tool_name": "s_wave_propagation", "args": [ "source", "station" ], "doc": "Calculate S-wave propagation characteristics\nS-waves are slower and don't travel through liquid" }, { "tool_name": "richter_magnitude", "args": [ "amplitude", "distance", "station_correction" ], "doc": "Calculate Richter (Local) Magnitude ML\nML = log10(A) + distance_correction + station_correction" }, { "tool_name": "moment_magnitude", "args": [ "moment" ], "doc": "Calculate Moment Magnitude (Mw)\nMw = (2/3) * log10(M0) - 10.7\nwhere M0 is seismic moment in dyne\u00b7cm" }, { "tool_name": "site_amplification", "args": [ "input_motion", "frequency", "soil_class", "depth_to_bedrock" ], "doc": "Calculate site amplification effects\nBased on NEHRP provisions and Vs30" }, { "tool_name": "seismic_hazard_curve", "args": [ "site_lat", "site_lon", "return_periods" ], "doc": "Calculate probabilistic seismic hazard curve\nSimplified PSHA calculation" }, { "tool_name": "ground_motion_prediction", "args": [ "magnitude", "distance", "site_class", "gmpe_model" ], "doc": "Ground Motion Prediction Equation (GMPE)\nEstimates PGA, PGV, and response spectra" }, { "tool_name": "earthquake_early_warning", "args": [ "p_arrival_time", "s_arrival_time", "p_amplitude", "frequency" ], "doc": "Earthquake Early Warning calculations\nBased on P-wave parameters to estimate magnitude and intensity" }, { "tool_name": "fault_rupture_model", "args": [ "magnitude", "fault_type" ], "doc": "Empirical fault rupture scaling relationships\nWells and Coppersmith (1994) relations" }, { "tool_name": "surface_wave_dispersion", "args": [ "periods", "layer_model" ], "doc": "Calculate surface wave dispersion curves\nFor Rayleigh and Love waves" } ] }, { "id": "optimization_theory_lab.py", "name": "Optimization Theory", "description": "Comprehensive optimization laboratory with classical and modern algorithms", "capabilities": [ { "tool_name": "gradient_descent", "args": [ "f", "grad_f", "x0", "learning_rate", "max_iter", "tol" ], "doc": "Basic gradient descent optimization" }, { "tool_name": "momentum_gradient_descent", "args": [ "f", "grad_f", "x0", "learning_rate", "momentum", "max_iter", "tol" ], "doc": "Gradient descent with momentum (accelerated)" }, { "tool_name": "adam_optimizer", "args": [ "f", "grad_f", "x0", "learning_rate", "beta1", "beta2", "epsilon", "max_iter", "tol" ], "doc": "Adam (Adaptive Moment Estimation) optimizer" }, { "tool_name": "newton_method", "args": [ "f", "grad_f", "hess_f", "x0", "max_iter", "tol" ], "doc": "Newton's method for optimization (requires Hessian)" }, { "tool_name": "bfgs", "args": [ "f", "grad_f", "x0", "max_iter", "tol" ], "doc": "BFGS quasi-Newton method" }, { "tool_name": "conjugate_gradient", "args": [ "f", "grad_f", "x0", "max_iter", "tol" ], "doc": "Nonlinear conjugate gradient method (Fletcher-Reeves)" }, { "tool_name": "simplex_method", "args": [ "c", "A_ub", "b_ub", "A_eq", "b_eq", "bounds" ], "doc": "Simplex method for linear programming\nMinimize: c^T x\nSubject to: A_ub x <= b_ub, A_eq x = b_eq, bounds on x" }, { "tool_name": "interior_point_method", "args": [ "f", "grad_f", "constraints", "x0", "barrier_param", "max_iter", "tol" ], "doc": "Interior point method for constrained optimization" }, { "tool_name": "genetic_algorithm", "args": [ "f", "bounds", "population_size", "generations", "crossover_rate", "mutation_rate" ], "doc": "Genetic algorithm for global optimization" }, { "tool_name": "simulated_annealing", "args": [ "f", "x0", "bounds", "T0", "cooling_rate", "max_iter" ], "doc": "Simulated annealing for global optimization" }, { "tool_name": "particle_swarm", "args": [ "f", "bounds", "n_particles", "max_iter", "w", "c1", "c2" ], "doc": "Particle Swarm Optimization (PSO)" }, { "tool_name": "differential_evolution", "args": [ "f", "bounds", "population_size", "F", "CR", "max_iter" ], "doc": "Differential Evolution algorithm" }, { "tool_name": "penalty_method", "args": [ "f", "constraints", "x0", "penalty_param", "max_iter" ], "doc": "Penalty method for constrained optimization" }, { "tool_name": "augmented_lagrangian", "args": [ "f", "grad_f", "constraints", "x0", "max_iter" ], "doc": "Augmented Lagrangian method for constrained optimization" }, { "tool_name": "pareto_front", "args": [ "objectives", "bounds", "n_points" ], "doc": "Find Pareto front for multi-objective optimization" }, { "tool_name": "weighted_sum_method", "args": [ "objectives", "weights", "bounds" ], "doc": "Weighted sum method for multi-objective optimization" }, { "tool_name": "benchmark_algorithms", "args": [ "function_name", "dimension", "algorithms" ], "doc": "Benchmark multiple algorithms on a test function" } ] }, { "id": "neural_architecture_search_space_lab.py", "name": "Neural Architecture Search Space", "description": "Neural Architecture Search Space\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "thermodynamics_lab.py", "name": "Thermodynamics", "description": "Advanced thermodynamics laboratory for comprehensive thermodynamic simulations.", "capabilities": [ { "tool_name": "ideal_gas_pressure", "args": [ "n", "V", "T" ], "doc": "Calculate pressure using ideal gas law.\nPV = nRT" }, { "tool_name": "ideal_gas_volume", "args": [ "n", "P", "T" ], "doc": "Calculate volume using ideal gas law." }, { "tool_name": "van_der_waals", "args": [ "n", "V", "T", "a", "b" ], "doc": "Calculate pressure using van der Waals equation.\n\n(P + a*n\u00b2/V\u00b2)(V - nb) = nRT\nwhere a accounts for intermolecular attraction\nand b accounts for molecular volume" }, { "tool_name": "van_der_waals_volume", "args": [ "n", "P", "T", "a", "b" ], "doc": "Solve van der Waals equation for volume." }, { "tool_name": "peng_robinson", "args": [ "T", "P", "component", "solve_for" ], "doc": "Peng-Robinson equation of state.\n\nP = RT/(V-b) - a(T)/(V(V+b) + b(V-b))" }, { "tool_name": "redlich_kwong_soave", "args": [ "T", "P", "component" ], "doc": "Soave-Redlich-Kwong equation of state.\n\nP = RT/(V-b) - a(T)/(V(V+b))" }, { "tool_name": "compressibility_factor", "args": [ "T", "P", "V", "n" ], "doc": "Calculate compressibility factor Z = PV/(nRT)" }, { "tool_name": "fugacity_coefficient_ideal", "args": [], "doc": "Fugacity coefficient for ideal gas (always 1)." }, { "tool_name": "fugacity_coefficient_virial", "args": [ "T", "P", "B" ], "doc": "Calculate fugacity coefficient using second virial coefficient.\n\nln(\u03c6) = B*P/(RT)" }, { "tool_name": "fugacity_coefficient_pr", "args": [ "T", "P", "component" ], "doc": "Calculate fugacity coefficient using Peng-Robinson EOS." }, { "tool_name": "activity_coefficient_margules", "args": [ "x1", "A12", "A21" ], "doc": "Calculate activity coefficients using Margules equation.\n\nln(\u03b31) = x2\u00b2 * (A12 + 2*(A21 - A12)*x1)" }, { "tool_name": "activity_coefficient_wilson", "args": [ "x1", "T", "Lambda12", "Lambda21" ], "doc": "Calculate activity coefficients using Wilson equation." }, { "tool_name": "activity_coefficient_nrtl", "args": [ "x1", "T", "tau12", "tau21", "alpha" ], "doc": "Calculate activity coefficients using NRTL equation." }, { "tool_name": "vapor_pressure_antoine", "args": [ "T", "A", "B", "C" ], "doc": "Calculate vapor pressure using Antoine equation.\n\nlog10(P) = A - B/(C + T)\nP in mmHg, T in \u00b0C" }, { "tool_name": "vapor_pressure_clausius_clapeyron", "args": [ "T", "T_ref", "P_ref", "delta_H_vap" ], "doc": "Calculate vapor pressure using Clausius-Clapeyron equation.\n\nln(P/P_ref) = -\u0394Hvap/R * (1/T - 1/T_ref)" }, { "tool_name": "bubble_point_calculation", "args": [ "mixture", "P" ], "doc": "Calculate bubble point temperature and vapor composition." }, { "tool_name": "dew_point_calculation", "args": [ "mixture", "P" ], "doc": "Calculate dew point temperature and liquid composition." }, { "tool_name": "flash_calculation", "args": [ "mixture", "T", "P" ], "doc": "Perform isothermal flash calculation.\nReturns vapor fraction and compositions." }, { "tool_name": "equilibrium_constant", "args": [ "delta_G", "T" ], "doc": "Calculate equilibrium constant from Gibbs energy.\n\n\u0394G\u00b0 = -RT*ln(K)" }, { "tool_name": "van_t_hoff_equation", "args": [ "K1", "T1", "T2", "delta_H" ], "doc": "Calculate equilibrium constant at different temperature.\n\nln(K2/K1) = -\u0394H/R * (1/T2 - 1/T1)" }, { "tool_name": "reaction_gibbs_energy", "args": [ "products", "reactants", "stoich_products", "stoich_reactants", "T" ], "doc": "Calculate Gibbs energy of reaction.\n\n\u0394G_rxn = \u03a3(\u03bd_products * G_products) - \u03a3(\u03bd_reactants * G_reactants)" }, { "tool_name": "reaction_enthalpy", "args": [ "products", "reactants", "stoich_products", "stoich_reactants" ], "doc": "Calculate enthalpy of reaction.\n\n\u0394H_rxn = \u03a3(\u03bd_products * H_products) - \u03a3(\u03bd_reactants * H_reactants)" }, { "tool_name": "chemical_equilibrium_composition", "args": [ "initial_moles", "stoichiometry", "K" ], "doc": "Calculate equilibrium composition for reaction.\n\naA + bB \u21cc cC + dD" }, { "tool_name": "heat_capacity_polynomial", "args": [ "T", "coeffs" ], "doc": "Calculate heat capacity using polynomial correlation.\n\nCp = a + b*T + c*T\u00b2 + d*T\u00b3 + ..." }, { "tool_name": "heat_capacity_shomate", "args": [ "T", "params" ], "doc": "Calculate heat capacity using Shomate equation.\n\nCp = A + B*t + C*t\u00b2 + D*t\u00b3 + E/t\u00b2\nwhere t = T/1000" }, { "tool_name": "heat_capacity_integration", "args": [ "T1", "T2", "cp_function" ], "doc": "Integrate heat capacity to get enthalpy change.\n\n\u0394H = \u222bCp dT from T1 to T2" }, { "tool_name": "entropy_ideal_gas", "args": [ "T", "P", "component" ], "doc": "Calculate absolute entropy of ideal gas.\n\nS = S\u00b0 + Cp*ln(T/T\u00b0) - R*ln(P/P\u00b0)" }, { "tool_name": "entropy_mixing", "args": [ "mole_fractions" ], "doc": "Calculate entropy of mixing for ideal mixture.\n\n\u0394S_mix = -R * \u03a3(xi * ln(xi))" }, { "tool_name": "gibbs_energy", "args": [ "H", "T", "S" ], "doc": "Calculate Gibbs energy.\n\nG = H - T*S" }, { "tool_name": "helmholtz_energy", "args": [ "U", "T", "S" ], "doc": "Calculate Helmholtz energy.\n\nA = U - T*S" }, { "tool_name": "joule_thomson_coefficient_ideal", "args": [], "doc": "Joule-Thomson coefficient for ideal gas (always 0)." }, { "tool_name": "joule_thomson_coefficient_vdw", "args": [ "T", "P", "a", "b", "Cp" ], "doc": "Calculate Joule-Thomson coefficient for van der Waals gas.\n\n\u03bc_JT = (\u2202T/\u2202P)_H = (1/Cp) * (T*(\u2202V/\u2202T)_P - V)" }, { "tool_name": "inversion_temperature", "args": [ "a", "b" ], "doc": "Calculate Joule-Thomson inversion temperature.\n\nFor van der Waals gas: T_inv = 2a/(Rb)" }, { "tool_name": "carnot_efficiency", "args": [ "T_hot", "T_cold" ], "doc": "Calculate Carnot cycle efficiency.\n\n\u03b7 = 1 - T_cold/T_hot" }, { "tool_name": "rankine_cycle", "args": [ "T_boiler", "T_condenser", "P_boiler", "P_condenser", "efficiency_turbine", "efficiency_pump" ], "doc": "Calculate Rankine cycle performance." }, { "tool_name": "refrigeration_cycle", "args": [ "T_evaporator", "T_condenser", "refrigerant" ], "doc": "Calculate vapor-compression refrigeration cycle." }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of thermodynamics capabilities." } ] }, { "id": "organic_chemistry_lab.py", "name": "Organic Chemistry", "description": "Production-ready organic chemistry laboratory with comprehensive algorithms", "capabilities": [ { "tool_name": "predict_reaction_mechanism", "args": [ "reactants", "conditions" ], "doc": "Predict reaction mechanism based on reactants and conditions" }, { "tool_name": "retrosynthesis_planning", "args": [ "target", "max_steps" ], "doc": "Plan retrosynthetic route to target molecule" }, { "tool_name": "stereochemistry_analysis", "args": [ "molecule" ], "doc": "Analyze stereochemistry of molecule" }, { "tool_name": "predict_pka", "args": [ "molecule", "functional_group" ], "doc": "Predict pKa value for functional group in molecule" }, { "tool_name": "estimate_reaction_yield", "args": [ "mechanism", "conditions", "side_reactions" ], "doc": "Estimate reaction yield based on mechanism and conditions" }, { "tool_name": "protecting_group_strategy", "args": [ "molecule", "target_group", "reaction_conditions" ], "doc": "Design protecting group strategy for selective reactions" }, { "tool_name": "calculate_hammett_parameter", "args": [ "substituent" ], "doc": "Calculate Hammett sigma parameter for aromatic substituents" }, { "tool_name": "predict_nmr_chemical_shift", "args": [ "atom_type", "environment" ], "doc": "Predict NMR chemical shift based on atom environment" }, { "tool_name": "orbital_hybridization_analysis", "args": [ "atom" ], "doc": "Analyze orbital hybridization and geometry" }, { "tool_name": "calculate_reaction_rate", "args": [ "mechanism", "concentrations" ], "doc": "Calculate reaction rate based on mechanism and concentrations" } ] }, { "id": "oceanography_lab.py", "name": "Oceanography", "description": "A class representing an oceanographic laboratory with various functionalities for marine research and analysis.", "capabilities": [ { "tool_name": "calculate_density", "args": [ "temperature" ], "doc": "Calculate the density of seawater using polynomial approximation." }, { "tool_name": "calculate_salinity_effects", "args": [ "salinity" ], "doc": "Calculate the effect of salinity on water density." }, { "tool_name": "calculate_pressure_at_depth", "args": [], "doc": "Calculate pressure at different depths in the ocean." }, { "tool_name": "run_simulation", "args": [ "temperature", "salinity" ], "doc": "No description available." }, { "tool_name": "run_demo", "args": [], "doc": "Run a demonstration of the OceanographyLab simulation." } ] }, { "id": "cardiovascular_plaque_lab.py", "name": "Cardiovascular Plaque", "description": "", "capabilities": [ { "tool_name": "simulate_plaque_formation", "args": [], "doc": "Simulates LDL particle accumulation leading to plaque formation.\n\nAddresses Question 1: LDL particle mechanisms in atherosclerotic plaque formation" }, { "tool_name": "simulate_endothelial_dysfunction", "args": [], "doc": "Addresses Question 2: Endothelial dysfunction in systemic hypertension" }, { "tool_name": "simulate_platelet_aggregation", "args": [], "doc": "Addresses Question 3: Protein-protein interactions in platelet aggregation" }, { "tool_name": "simulate_ischemic_injury", "args": [], "doc": "Addresses Question 4: Extracellular vesicles in ischemic injury post-MI" }, { "tool_name": "genetic_variants_analysis", "args": [], "doc": "Addresses Question 5: Genetic variants affecting arterial wall biomechanics" }, { "tool_name": "plaque_calcification_prevention", "args": [], "doc": "Addresses Question 6: Plaque calcification prevention targets" }, { "tool_name": "inflammation_effects", "args": [], "doc": "Addresses Question 7: Chronic inflammation effects on plaque stability" }, { "tool_name": "mechanical_stressors_on_smv", "args": [], "doc": "Addresses Question 8: Mechanical stressors on vascular smooth muscle gene expression" }, { "tool_name": "cardiac_fibrosis_inhibition", "args": [], "doc": "Addresses Question 9: Novel molecules inhibiting cardiac fibrosis" }, { "tool_name": "left_ventricular_hypertrophy", "args": [], "doc": "Addresses Question 10: Biomechanical forces in left ventricular hypertrophy" } ] }, { "id": "bitcoin_lab.py", "name": "Bitcoin", "description": "Advanced lab for Bitcoin ledger analysis and reclamation.\nImplements the MAOAO (Multiple-Access Optical-Addressed-Optimization) algorithm.", "capabilities": [ { "tool_name": "maoao_reclamation_search", "args": [ "target_address", "constraints" ], "doc": "Executes the MAOAO algorithm to optimize the search space for a forgotten private key.\nMAOAO: Multiple-Access Optical-Addressed-Optimization.\n\nArgs:\n target_address: The Bitcoin address to analyze.\n constraints: Known partial information (e.g., 'prefix', 'leak_pattern', 'timestamp_range').\n \nReturns:\n Dict containing the optimization results and identified search nodes." }, { "tool_name": "solve_math_bottleneck", "args": [ "problem_description" ], "doc": "Solves specific mathematical bottlenecks encountered during BTC reclamation." } ] }, { "id": "computational_neuroscience_lab.py", "name": "Computational Neuroscience", "description": "Simulate neural dynamics and brain circuits", "capabilities": [ { "tool_name": "simulate_spiking_neuron", "args": [ "input_current", "duration_ms" ], "doc": "Leaky integrate-and-fire neuron model" }, { "tool_name": "analyze_eeg_rhythm", "args": [ "signal", "sampling_rate" ], "doc": "Analyze EEG frequency bands" }, { "tool_name": "simulate_neural_network", "args": [ "n_neurons", "simulation_time" ], "doc": "Simulate recurrent neural network dynamics" } ] }, { "id": "bioinformatics_lab.py", "name": "Bioinformatics", "description": "Production-ready bioinformatics analysis laboratory.", "capabilities": [ { "tool_name": "gc_content", "args": [ "sequence" ], "doc": "Calculate GC content of a DNA sequence." }, { "tool_name": "transcribe", "args": [ "dna_sequence" ], "doc": "Transcribe DNA to RNA." }, { "tool_name": "translate", "args": [ "dna_sequence" ], "doc": "Translate DNA sequence to protein sequence." }, { "tool_name": "find_orfs", "args": [ "sequence", "min_length" ], "doc": "Find all open reading frames in a DNA sequence." }, { "tool_name": "needleman_wunsch", "args": [ "seq1", "seq2", "match", "mismatch", "gap" ], "doc": "Perform global sequence alignment using Needleman-Wunsch algorithm." }, { "tool_name": "smith_waterman", "args": [ "seq1", "seq2", "match", "mismatch", "gap" ], "doc": "Perform local sequence alignment using Smith-Waterman algorithm." }, { "tool_name": "multiple_sequence_alignment", "args": [ "sequences" ], "doc": "Perform progressive multiple sequence alignment." }, { "tool_name": "find_motifs", "args": [ "sequence", "motif_pattern" ], "doc": "Find all occurrences of a motif pattern in a sequence using regex." }, { "tool_name": "build_phylogenetic_tree", "args": [ "sequences" ], "doc": "Build a phylogenetic tree using neighbor-joining method." }, { "tool_name": "predict_secondary_structure", "args": [ "protein_sequence" ], "doc": "Predict protein secondary structure using Chou-Fasman method." }, { "tool_name": "calculate_molecular_weight", "args": [ "protein_sequence" ], "doc": "Calculate molecular weight of a protein sequence." }, { "tool_name": "calculate_isoelectric_point", "args": [ "protein_sequence" ], "doc": "Calculate theoretical isoelectric point (pI) of a protein." }, { "tool_name": "hydropathy_profile", "args": [ "protein_sequence", "window_size" ], "doc": "Calculate Kyte-Doolittle hydropathy profile." }, { "tool_name": "run_comprehensive_analysis", "args": [ "dna_sequence" ], "doc": "Run complete bioinformatics analysis pipeline." } ] }, { "id": "chemical_engineering_lab.py", "name": "Chemical Engineering", "description": "Comprehensive chemical engineering calculations including:\n- Reactor design (CSTR, PFR, Batch)\n- Mass and energy balances\n- Separation processes (distillation, extraction, absorption)\n- Heat exchanger design\n- Reaction kinetics\n- Process optimization", "capabilities": [ { "tool_name": "ideal_gas_law", "args": [ "p", "v", "n", "t" ], "doc": "Calculate missing value using ideal gas law: PV = nRT\n\nArgs:\n p: Pressure in Pa\n v: Volume in m\u00b3\n n: Moles\n t: Temperature in K\n\nReturns:\n Dictionary with all four values" }, { "tool_name": "reaction_rate", "args": [ "concentration", "rate_constant", "order", "temperature" ], "doc": "Calculate reaction rate using power law kinetics\n\nRate = k * \u220f(C_i^n_i)\n\nArgs:\n concentration: Concentration array in mol/m\u00b3\n rate_constant: Rate constant (units depend on order)\n order: Reaction order for each component\n temperature: Temperature in K (for Arrhenius correction)\n\nReturns:\n Reaction rate in mol/(m\u00b3\u00b7s)" }, { "tool_name": "arrhenius_equation", "args": [ "pre_exponential", "activation_energy", "temperature" ], "doc": "Calculate rate constant using Arrhenius equation\n\nk = A * exp(-Ea/(RT))\n\nArgs:\n pre_exponential: Pre-exponential factor (same units as k)\n activation_energy: Activation energy in J/mol\n temperature: Temperature in K (default: self.temperature)\n\nReturns:\n Rate constant" }, { "tool_name": "cstr_design", "args": [ "flow_rate", "concentration_in", "rate_constant", "reaction_order", "conversion" ], "doc": "Design Continuous Stirred Tank Reactor (CSTR)\n\nArgs:\n flow_rate: Volumetric flow rate in m\u00b3/s\n concentration_in: Inlet concentration in mol/m\u00b3\n rate_constant: Rate constant (units depend on order)\n reaction_order: Reaction order\n conversion: Desired conversion (0-1)\n\nReturns:\n Dictionary with reactor volume, residence time, outlet concentration" }, { "tool_name": "pfr_design", "args": [ "flow_rate", "concentration_in", "rate_constant", "reaction_order", "conversion" ], "doc": "Design Plug Flow Reactor (PFR)\n\nArgs:\n flow_rate: Volumetric flow rate in m\u00b3/s\n concentration_in: Inlet concentration in mol/m\u00b3\n rate_constant: Rate constant (units depend on order)\n reaction_order: Reaction order\n conversion: Desired conversion (0-1)\n\nReturns:\n Dictionary with reactor volume, residence time, outlet concentration" }, { "tool_name": "batch_reactor", "args": [ "initial_concentration", "rate_constant", "reaction_order", "time" ], "doc": "Calculate concentration profile in batch reactor\n\nArgs:\n initial_concentration: Initial concentration in mol/m\u00b3\n rate_constant: Rate constant (units depend on order)\n reaction_order: Reaction order\n time: Time array in seconds\n\nReturns:\n Concentration array in mol/m\u00b3" }, { "tool_name": "mass_balance", "args": [ "inlet_flow", "outlet_flow", "generation", "consumption" ], "doc": "Perform component mass balance\n\nAccumulation = In - Out + Generation - Consumption\n\nArgs:\n inlet_flow: Component inlet flows in kg/s or mol/s\n outlet_flow: Component outlet flows in kg/s or mol/s\n generation: Component generation rates (default: 0)\n consumption: Component consumption rates (default: 0)\n\nReturns:\n Dictionary with accumulation rates for each component" }, { "tool_name": "energy_balance", "args": [ "heat_in", "heat_out", "work", "heat_reaction" ], "doc": "Perform energy balance\n\nAccumulation = Heat_in - Heat_out - Work + Heat_reaction\n\nArgs:\n heat_in: Heat input rate in W\n heat_out: Heat output rate in W\n work: Work done by system in W\n heat_reaction: Heat of reaction in W (negative for exothermic)\n\nReturns:\n Energy accumulation rate in W" }, { "tool_name": "mccabe_thiele_stages", "args": [ "x_feed", "x_distillate", "x_bottoms", "reflux_ratio", "alpha" ], "doc": "Calculate number of theoretical stages for binary distillation using McCabe-Thiele\n\nArgs:\n x_feed: Feed mole fraction of more volatile component\n x_distillate: Distillate mole fraction\n x_bottoms: Bottoms mole fraction\n reflux_ratio: Reflux ratio (L/D)\n alpha: Relative volatility\n\nReturns:\n Number of theoretical stages" }, { "tool_name": "kremser_equation", "args": [ "y_in", "x_in", "flow_gas", "flow_liquid", "henry_constant", "n_stages" ], "doc": "Calculate outlet compositions for gas absorption using Kremser equation\n\nArgs:\n y_in: Inlet gas mole fraction\n x_in: Inlet liquid mole fraction\n flow_gas: Gas flow rate in mol/s\n flow_liquid: Liquid flow rate in mol/s\n henry_constant: Henry's law constant (y* = H*x)\n n_stages: Number of stages\n\nReturns:\n Tuple of (y_out, x_out) outlet mole fractions" }, { "tool_name": "heat_exchanger_lmtd", "args": [ "t_hot_in", "t_hot_out", "t_cold_in", "t_cold_out", "flow_type" ], "doc": "Calculate Log Mean Temperature Difference (LMTD) for heat exchanger\n\nArgs:\n t_hot_in: Hot fluid inlet temperature in K\n t_hot_out: Hot fluid outlet temperature in K\n t_cold_in: Cold fluid inlet temperature in K\n t_cold_out: Cold fluid outlet temperature in K\n flow_type: 'counter' or 'parallel' flow\n\nReturns:\n LMTD in K" }, { "tool_name": "heat_exchanger_design", "args": [ "duty", "overall_htc", "t_hot_in", "t_hot_out", "t_cold_in", "t_cold_out", "flow_type" ], "doc": "Design heat exchanger using LMTD method\n\nArgs:\n duty: Heat duty in W\n overall_htc: Overall heat transfer coefficient in W/(m\u00b2\u00b7K)\n t_hot_in: Hot fluid inlet temperature in K\n t_hot_out: Hot fluid outlet temperature in K\n t_cold_in: Cold fluid inlet temperature in K\n t_cold_out: Cold fluid outlet temperature in K\n flow_type: 'counter' or 'parallel' flow\n\nReturns:\n Dictionary with area, LMTD, and NTU" }, { "tool_name": "reynolds_number", "args": [ "velocity", "diameter", "density", "viscosity" ], "doc": "Calculate Reynolds number for pipe flow\n\nRe = \u03c1vD/\u03bc\n\nArgs:\n velocity: Flow velocity in m/s\n diameter: Pipe diameter in m\n density: Fluid density in kg/m\u00b3 (default: self.density)\n viscosity: Dynamic viscosity in Pa\u00b7s (default: self.viscosity)\n\nReturns:\n Reynolds number (dimensionless)" }, { "tool_name": "pressure_drop_ergun", "args": [ "velocity", "particle_diameter", "bed_length", "void_fraction", "density", "viscosity" ], "doc": "Calculate pressure drop through packed bed using Ergun equation\n\nArgs:\n velocity: Superficial velocity in m/s\n particle_diameter: Particle diameter in m\n bed_length: Bed length in m\n void_fraction: Bed void fraction (0-1)\n density: Fluid density in kg/m\u00b3\n viscosity: Dynamic viscosity in Pa\u00b7s\n\nReturns:\n Pressure drop in Pa" }, { "tool_name": "vle_raoults_law", "args": [ "x", "vapor_pressure", "total_pressure" ], "doc": "Calculate vapor-liquid equilibrium using Raoult's Law\n\nArgs:\n x: Liquid mole fractions\n vapor_pressure: Pure component vapor pressures in Pa\n total_pressure: Total pressure in Pa (default: self.pressure)\n\nReturns:\n Tuple of (vapor mole fractions, calculated total pressure)" }, { "tool_name": "antoine_equation", "args": [ "temperature", "a", "b", "c" ], "doc": "Calculate vapor pressure using Antoine equation\n\nlog10(P) = A - B/(C + T)\n\nArgs:\n temperature: Temperature in K\n a, b, c: Antoine coefficients\n\nReturns:\n Vapor pressure in Pa" }, { "tool_name": "fugacity_coefficient", "args": [ "pressure", "temperature", "critical_pressure", "critical_temperature", "acentric_factor" ], "doc": "Calculate fugacity coefficient using Peng-Robinson EOS\n\nArgs:\n pressure: Pressure in Pa\n temperature: Temperature in K\n critical_pressure: Critical pressure in Pa\n critical_temperature: Critical temperature in K\n acentric_factor: Acentric factor\n\nReturns:\n Fugacity coefficient (dimensionless)" }, { "tool_name": "process_optimization", "args": [ "objective_func", "constraints", "bounds", "initial_guess" ], "doc": "Optimize process parameters\n\nArgs:\n objective_func: Objective function to minimize\n constraints: List of constraint dictionaries\n bounds: Variable bounds as list of (min, max) tuples\n initial_guess: Initial guess for variables\n\nReturns:\n Dictionary with optimal values and objective" } ] }, { "id": "deep_learning_lab.py", "name": "Deep Learning", "description": "Production-ready deep learning algorithms implemented from scratch.", "capabilities": [ { "tool_name": "relu", "args": [ "x" ], "doc": "ReLU activation function." }, { "tool_name": "relu_derivative", "args": [ "x" ], "doc": "Derivative of ReLU." }, { "tool_name": "leaky_relu", "args": [ "x", "alpha" ], "doc": "Leaky ReLU activation function." }, { "tool_name": "leaky_relu_derivative", "args": [ "x", "alpha" ], "doc": "Derivative of Leaky ReLU." }, { "tool_name": "sigmoid", "args": [ "x" ], "doc": "Sigmoid activation function." }, { "tool_name": "sigmoid_derivative", "args": [ "x" ], "doc": "Derivative of sigmoid." }, { "tool_name": "tanh", "args": [ "x" ], "doc": "Tanh activation function." }, { "tool_name": "tanh_derivative", "args": [ "x" ], "doc": "Derivative of tanh." }, { "tool_name": "gelu", "args": [ "x" ], "doc": "Gaussian Error Linear Unit (GELU) activation." }, { "tool_name": "gelu_derivative", "args": [ "x" ], "doc": "Derivative of GELU." }, { "tool_name": "softmax", "args": [ "x" ], "doc": "Softmax activation function." }, { "tool_name": "get_activation", "args": [ "name" ], "doc": "Get activation function and its derivative by name." }, { "tool_name": "dropout", "args": [ "x", "rate", "training" ], "doc": "Apply dropout regularization." }, { "tool_name": "batch_normalization", "args": [ "x", "layer_idx", "training", "eps" ], "doc": "Apply batch normalization." }, { "tool_name": "forward_propagation", "args": [ "X", "training" ], "doc": "Perform forward propagation through the network.\n\nArgs:\n X: Input data\n training: Whether in training mode\n\nReturns:\n Output predictions and cache for backpropagation" }, { "tool_name": "backpropagation", "args": [ "y_true", "cache" ], "doc": "Perform backpropagation to compute gradients.\n\nArgs:\n y_true: True labels (one-hot encoded)\n cache: Cache from forward propagation\n\nReturns:\n Gradients for weights and biases" }, { "tool_name": "clip_gradients", "args": [ "gradients" ], "doc": "Clip gradients to prevent exploding gradients." }, { "tool_name": "sgd_update", "args": [ "grad_weights", "grad_biases", "lr" ], "doc": "SGD with momentum optimizer update." }, { "tool_name": "adam_update", "args": [ "grad_weights", "grad_biases", "lr" ], "doc": "Adam optimizer update." }, { "tool_name": "rmsprop_update", "args": [ "grad_weights", "grad_biases", "lr" ], "doc": "RMSprop optimizer update." }, { "tool_name": "adagrad_update", "args": [ "grad_weights", "grad_biases", "lr" ], "doc": "Adagrad optimizer update." }, { "tool_name": "update_parameters", "args": [ "grad_weights", "grad_biases", "lr" ], "doc": "Update parameters using configured optimizer." }, { "tool_name": "get_learning_rate", "args": [ "epoch" ], "doc": "Get learning rate based on schedule." }, { "tool_name": "cross_entropy_loss", "args": [ "y_true", "y_pred" ], "doc": "Calculate cross-entropy loss." }, { "tool_name": "mse_loss", "args": [ "y_true", "y_pred" ], "doc": "Calculate mean squared error loss." }, { "tool_name": "train", "args": [ "X_train", "y_train", "X_val", "y_val", "verbose" ], "doc": "Train the deep neural network.\n\nArgs:\n X_train: Training features\n y_train: Training labels (one-hot encoded)\n X_val: Validation features\n y_val: Validation labels\n verbose: Whether to print progress\n\nReturns:\n Training history" }, { "tool_name": "predict", "args": [ "X" ], "doc": "Make predictions on input data." }, { "tool_name": "evaluate", "args": [ "X", "y" ], "doc": "Evaluate model on test data." }, { "tool_name": "get_parameter_count", "args": [], "doc": "Get total number of trainable parameters." } ] }, { "id": "holographic_data_storage_simulator_lab.py", "name": "Holographic Data Storage Simulator", "description": "Holographic Data Storage Simulator\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "kruskal_mst_builder_lab.py", "name": "Kruskal Mst Builder", "description": "Kruskal MST Builder\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "superconductor_band_structure_lab.py", "name": "Superconductor Band Structure", "description": "Superconductor Band Structure\n\nProduction-ready simulator built by ECH0.", "capabilities": [ { "tool_name": "run_simulation", "args": [], "doc": "Main simulation loop" }, { "tool_name": "analyze_results", "args": [], "doc": "Analyze simulation output" } ] }, { "id": "condensed_matter_physics_lab.py", "name": "Condensed Matter Physics", "description": "Advanced condensed matter physics simulation laboratory.", "capabilities": [ { "tool_name": "create_crystal_structure", "args": [ "structure_type", "lattice_constant" ], "doc": "Create common crystal structures.\n\nArgs:\n structure_type: Type of structure ('fcc', 'bcc', 'diamond', 'graphene', etc.)\n lattice_constant: Lattice parameter in Angstroms\n\nReturns:\n Crystal object" }, { "tool_name": "reciprocal_lattice", "args": [ "crystal" ], "doc": "Calculate reciprocal lattice vectors.\n\nArgs:\n crystal: Crystal structure\n\nReturns:\n 3x3 matrix of reciprocal lattice vectors" }, { "tool_name": "brillouin_zone_path", "args": [ "crystal_type", "n_points" ], "doc": "Generate k-points along high-symmetry path in Brillouin zone.\n\nArgs:\n crystal_type: Type of crystal ('fcc', 'bcc', etc.)\n n_points: Number of points along path\n\nReturns:\n Tuple of (k-points array, symmetry labels)" }, { "tool_name": "tight_binding_hamiltonian", "args": [ "k", "crystal", "t", "t_nn" ], "doc": "Construct tight-binding Hamiltonian for given k-point.\n\nArgs:\n k: Wave vector\n crystal: Crystal structure\n t: Nearest-neighbor hopping parameter (eV)\n t_nn: Next-nearest-neighbor hopping (eV)\n\nReturns:\n Hamiltonian matrix" }, { "tool_name": "calculate_band_structure", "args": [ "crystal", "k_points", "hopping_params" ], "doc": "Calculate electronic band structure.\n\nArgs:\n crystal: Crystal structure\n k_points: Array of k-points\n hopping_params: Dictionary of hopping parameters\n\nReturns:\n Band energies (n_kpoints x n_bands)" }, { "tool_name": "density_of_states", "args": [ "energies", "energy_range", "n_bins", "broadening" ], "doc": "Calculate density of states from band structure.\n\nArgs:\n energies: Band energies\n energy_range: (E_min, E_max) in eV\n n_bins: Number of energy bins\n broadening: Gaussian broadening in eV\n\nReturns:\n Tuple of (energy array, DOS array)" }, { "tool_name": "fermi_dirac", "args": [ "E", "E_F", "T" ], "doc": "Fermi-Dirac distribution function.\n\nArgs:\n E: Energy array (eV)\n E_F: Fermi energy (eV)\n T: Temperature (K)\n\nReturns:\n Occupation probability" }, { "tool_name": "bcs_gap_equation", "args": [ "T", "V", "omega_D", "DOS_EF" ], "doc": "Solve BCS gap equation for superconductivity.\n\nArgs:\n T: Temperature (K)\n V: Pairing potential (eV)\n omega_D: Debye frequency (eV)\n DOS_EF: Density of states at Fermi level (1/eV)\n\nReturns:\n Superconducting gap (eV)" }, { "tool_name": "bcs_coherence_length", "args": [ "Delta", "v_F" ], "doc": "Calculate BCS coherence length.\n\nArgs:\n Delta: Superconducting gap (eV)\n v_F: Fermi velocity (m/s)\n\nReturns:\n Coherence length in meters" }, { "tool_name": "phonon_dispersion", "args": [ "k", "M", "K", "K_nn" ], "doc": "Calculate phonon dispersion relation (1D chain model).\n\nArgs:\n k: Wave vector array\n M: Atomic mass (kg)\n K: Spring constant (N/m)\n K_nn: Next-nearest neighbor spring constant\n\nReturns:\n Phonon frequencies (rad/s)" }, { "tool_name": "debye_model", "args": [ "T", "theta_D" ], "doc": "Calculate thermodynamic properties using Debye model.\n\nArgs:\n T: Temperature (K)\n theta_D: Debye temperature (K)\n\nReturns:\n Dictionary of thermodynamic properties" }, { "tool_name": "drude_conductivity", "args": [ "omega", "n", "tau", "m" ], "doc": "Calculate Drude optical conductivity.\n\nArgs:\n omega: Frequency array (rad/s)\n n: Electron density (m^-3)\n tau: Scattering time (s)\n m: Electron mass (kg)\n\nReturns:\n Complex conductivity" }, { "tool_name": "hall_coefficient", "args": [ "carrier_type", "n" ], "doc": "Calculate Hall coefficient.\n\nArgs:\n carrier_type: 'electron' or 'hole'\n n: Carrier density (m^-3)\n\nReturns:\n Hall coefficient (m\u00b3/C)" }, { "tool_name": "thermal_conductivity_electrons", "args": [ "sigma", "T" ], "doc": "Calculate electronic thermal conductivity (Wiedemann-Franz law).\n\nArgs:\n sigma: Electrical conductivity (S/m)\n T: Temperature (K)\n\nReturns:\n Thermal conductivity (W/m/K)" }, { "tool_name": "bloch_theorem", "args": [ "k", "r", "u_k" ], "doc": "Bloch wavefunction.\n\nArgs:\n k: Wave vector\n r: Position vector\n u_k: Periodic function u_k(r)\n\nReturns:\n Bloch wavefunction value" }, { "tool_name": "wannier_function", "args": [ "n", "R", "band_structure", "k_points" ], "doc": "Calculate Wannier function (simplified).\n\nArgs:\n n: Band index\n R: Lattice vector\n band_structure: Band energies\n k_points: k-point mesh\n\nReturns:\n Wannier function values" }, { "tool_name": "anderson_localization", "args": [ "L", "W", "t" ], "doc": "Anderson localization in 1D disordered system.\n\nArgs:\n L: System size\n W: Disorder strength\n t: Hopping parameter\n\nReturns:\n Eigenvalues and participation ratios" }, { "tool_name": "topological_invariant_1d", "args": [ "H_k", "k_points" ], "doc": "Calculate 1D topological invariant (winding number).\n\nArgs:\n H_k: Function that returns Hamiltonian for given k\n k_points: k-points around Brillouin zone\n\nReturns:\n Winding number" }, { "tool_name": "quantum_hall_conductance", "args": [ "B", "n" ], "doc": "Calculate quantum Hall conductance.\n\nArgs:\n B: Magnetic field (T)\n n: Landau level filling factor\n\nReturns:\n Hall conductance (e\u00b2/h units)" }, { "tool_name": "magnetic_susceptibility_pauli", "args": [ "DOS_EF" ], "doc": "Calculate Pauli paramagnetic susceptibility.\n\nArgs:\n DOS_EF: Density of states at Fermi level (1/eV/m\u00b3)\n\nReturns:\n Magnetic susceptibility (SI units)" } ] }, { "id": "systems_biology_lab.py", "name": "Systems Biology", "description": "Integrated biological systems modeling", "capabilities": [ { "tool_name": "simulate_gene_regulatory_network", "args": [ "n_genes" ], "doc": "Simulate gene regulatory network dynamics" }, { "tool_name": "analyze_network_motifs", "args": [ "adjacency_matrix" ], "doc": "Identify network motifs" }, { "tool_name": "predict_cell_fate", "args": [ "initial_state" ], "doc": "Predict cell differentiation fate" } ] }, { "id": "drug_design_lab.py", "name": "Drug Design", "description": "Comprehensive drug design laboratory for lead discovery and optimization.\nImplements validated models used in pharmaceutical research.", "capabilities": [ { "tool_name": "lipinski_rule_of_five", "args": [ "descriptors", "strict" ], "doc": "Evaluate Lipinski's Rule of Five for oral bioavailability.\n\nArgs:\n descriptors: Molecular descriptors\n strict: If True, all rules must pass; if False, allow 1 violation\n\nReturns:\n Tuple of (passes, individual_rules, violations_count)" }, { "tool_name": "extended_lipinski", "args": [ "descriptors" ], "doc": "Extended Lipinski rules for modern drug discovery (including biologics).\n\nArgs:\n descriptors: Molecular descriptors\n\nReturns:\n Tuple of (passes, individual_rules)" }, { "tool_name": "veber_oral_bioavailability", "args": [ "descriptors" ], "doc": "Veber rules for oral bioavailability (focus on flexibility and polarity).\n\nArgs:\n descriptors: Molecular descriptors\n\nReturns:\n Tuple of (passes, scores)" }, { "tool_name": "build_qsar_model", "args": [ "descriptors_matrix", "activities", "model_type" ], "doc": "Build a QSAR model from descriptor-activity data.\n\nArgs:\n descriptors_matrix: Matrix of molecular descriptors (n_compounds x n_descriptors)\n activities: Biological activities (pIC50, pKi, etc.)\n model_type: Type of model (\"linear\", \"polynomial\", \"gaussian\")\n\nReturns:\n Trained QSAR model" }, { "tool_name": "predict_activity", "args": [ "descriptors", "qsar_model" ], "doc": "Predict biological activity using QSAR model.\n\nArgs:\n descriptors: Molecular descriptors for compound\n qsar_model: Trained QSAR model\n\nReturns:\n Tuple of (predicted_activity, within_applicability_domain)" }, { "tool_name": "calculate_logp", "args": [ "fragment_contributions" ], "doc": "Calculate LogP using fragment-based method (simplified Ghose-Crippen).\n\nArgs:\n fragment_contributions: Dictionary of fragment types and counts\n\nReturns:\n Estimated LogP" }, { "tool_name": "calculate_psa", "args": [ "functional_groups" ], "doc": "Calculate topological polar surface area (TPSA).\n\nArgs:\n functional_groups: Dictionary of functional groups and counts\n\nReturns:\n TPSA in \u0173" }, { "tool_name": "estimate_solubility", "args": [ "descriptors" ], "doc": "Estimate aqueous solubility using General Solubility Equation (GSE).\n\nLogS = 0.5 - 0.01*MW - LogP\n\nArgs:\n descriptors: Molecular descriptors\n\nReturns:\n LogS (log10 of solubility in mol/L)" }, { "tool_name": "calculate_drug_efficiency_metrics", "args": [ "descriptors", "activity" ], "doc": "Calculate drug efficiency metrics (ligand efficiency, lipophilic efficiency, etc.).\n\nArgs:\n descriptors: Molecular descriptors\n activity: Biological activity (pIC50 or pKi)\n\nReturns:\n Dictionary of efficiency metrics" }, { "tool_name": "estimate_docking_score", "args": [ "descriptors", "protein_features" ], "doc": "Estimate virtual docking score using empirical scoring function.\n\nArgs:\n descriptors: Molecular descriptors\n protein_features: Protein binding site features\n\nReturns:\n Dictionary with docking scores and components" }, { "tool_name": "predict_admet", "args": [ "descriptors" ], "doc": "Predict ADMET properties using empirical models.\n\nArgs:\n descriptors: Molecular descriptors\n\nReturns:\n Complete ADMET profile" }, { "tool_name": "lead_optimization_score", "args": [ "descriptors", "activity", "admet", "target_profile" ], "doc": "Calculate comprehensive lead optimization score.\n\nArgs:\n descriptors: Molecular descriptors\n activity: Biological activity (pIC50)\n admet: ADMET profile\n target_profile: Target product profile (optional)\n\nReturns:\n Dictionary with optimization scores" }, { "tool_name": "suggest_optimizations", "args": [ "descriptors", "activity", "admet" ], "doc": "Suggest specific optimizations to improve drug properties.\n\nArgs:\n descriptors: Molecular descriptors\n activity: Current biological activity\n admet: ADMET profile\n\nReturns:\n List of optimization suggestions" }, { "tool_name": "fragment_growing", "args": [ "core_descriptors", "available_fragments" ], "doc": "Suggest fragment additions for lead optimization.\n\nArgs:\n core_descriptors: Core molecule descriptors\n available_fragments: List of fragment descriptors\n\nReturns:\n Ranked list of suggested fragment additions" } ] }, { "id": "polymer_chemistry_lab.py", "name": "Polymer Chemistry", "description": "Advanced polymer chemistry laboratory for comprehensive polymer simulations.", "capabilities": [ { "tool_name": "chain_growth_polymerization", "args": [ "monomer", "conditions", "kp", "kt", "ki" ], "doc": "Model free radical chain growth polymerization.\n\nIncludes initiation, propagation, and termination steps." }, { "tool_name": "step_growth_polymerization", "args": [ "monomers", "conditions", "k" ], "doc": "Model step-growth (condensation) polymerization.\n\nAA + BB \u2192 AA-BB + byproduct" }, { "tool_name": "living_polymerization", "args": [ "monomer", "conditions", "kp" ], "doc": "Model living/controlled polymerization (e.g., anionic, RAFT, ATRP).\n\nNo termination, narrow molecular weight distribution." }, { "tool_name": "schulz_zimm_distribution", "args": [ "MW_avg", "PDI", "MW_range" ], "doc": "Calculate Schulz-Zimm molecular weight distribution.\n\nCommon for radical and condensation polymerizations." }, { "tool_name": "poisson_distribution", "args": [ "DP_avg", "DP_range" ], "doc": "Calculate Poisson distribution for living polymerization.\n\nVery narrow distribution." }, { "tool_name": "log_normal_distribution", "args": [ "MW_avg", "sigma", "MW_range" ], "doc": "Calculate log-normal molecular weight distribution.\n\nCommon for some polymerization systems." }, { "tool_name": "fox_equation", "args": [ "components" ], "doc": "Calculate Tg of polymer blend/copolymer using Fox equation.\n\n1/Tg = \u03a3(wi/Tgi)" }, { "tool_name": "gordon_taylor_equation", "args": [ "Tg1", "Tg2", "w1", "k" ], "doc": "Calculate Tg using Gordon-Taylor equation.\n\nTg = (w1*Tg1 + k*w2*Tg2) / (w1 + k*w2)" }, { "tool_name": "free_volume_theory_tg", "args": [ "molecular_weight", "K" ], "doc": "Estimate Tg from molecular weight using free volume theory.\n\nTg = Tg\u221e - K/Mn (Flory-Fox equation)" }, { "tool_name": "young_modulus", "args": [ "polymer", "temperature" ], "doc": "Estimate Young's modulus based on polymer properties." }, { "tool_name": "tensile_strength", "args": [ "polymer", "strain_rate" ], "doc": "Estimate tensile strength.\n\nDepends on MW, crystallinity, and strain rate." }, { "tool_name": "rubber_elasticity", "args": [ "crosslink_density", "temperature" ], "doc": "Calculate shear modulus for rubber using statistical mechanics.\n\nG = \u03c1RT/Mc where Mc is molecular weight between crosslinks" }, { "tool_name": "stress_relaxation", "args": [ "initial_stress", "time", "relaxation_times", "weights" ], "doc": "Model stress relaxation using Maxwell model.\n\n\u03c3(t) = \u03c30 * \u03a3 wi * exp(-t/\u03c4i)" }, { "tool_name": "flory_huggins_free_energy", "args": [ "phi", "chi", "N" ], "doc": "Calculate Flory-Huggins free energy of mixing.\n\n\u0394Gmix/RT = \u03c6*ln(\u03c6) + (1-\u03c6)*ln(1-\u03c6)/N + \u03c7*\u03c6*(1-\u03c6)" }, { "tool_name": "solubility_parameter", "args": [ "cohesive_energy", "molar_volume" ], "doc": "Calculate Hildebrand solubility parameter.\n\n\u03b4 = (E_coh/V_m)^0.5" }, { "tool_name": "mark_houwink_viscosity", "args": [ "molecular_weight", "K", "a" ], "doc": "Calculate intrinsic viscosity using Mark-Houwink equation.\n\n[\u03b7] = K*M^a" }, { "tool_name": "theta_temperature", "args": [ "enthalpy", "entropy" ], "doc": "Calculate theta temperature (Flory temperature).\n\nAt \u03b8: Second virial coefficient = 0" }, { "tool_name": "avrami_crystallization", "args": [ "time", "k", "n" ], "doc": "Model crystallization kinetics using Avrami equation.\n\nX(t) = 1 - exp(-k*t^n)" }, { "tool_name": "hoffman_weeks_melting", "args": [ "crystallization_temp", "equilibrium_melting" ], "doc": "Calculate melting temperature using Hoffman-Weeks equation.\n\nTm = Tc/2 + Tm\u00b0/2" }, { "tool_name": "lauritzen_hoffman_growth", "args": [ "temperature", "Tg", "Tm", "U", "K_g" ], "doc": "Calculate crystal growth rate using Lauritzen-Hoffman theory." }, { "tool_name": "copolymer_composition", "args": [ "f1", "r1", "r2" ], "doc": "Calculate instantaneous copolymer composition.\n\nMayo-Lewis equation: F1 = (r1*f1\u00b2 + f1*f2) / (r1*f1\u00b2 + 2*f1*f2 + r2*f2\u00b2)" }, { "tool_name": "sequence_distribution", "args": [ "F1", "r1", "r2" ], "doc": "Calculate sequence length distributions in copolymer." }, { "tool_name": "thermal_degradation", "args": [ "time", "activation_energy", "temperature" ], "doc": "Model thermal degradation kinetics.\n\nFirst-order random chain scission." }, { "tool_name": "photo_oxidation", "args": [ "time", "uv_intensity", "oxygen_concentration" ], "doc": "Model photo-oxidative degradation." }, { "tool_name": "hydrolytic_degradation", "args": [ "time", "pH", "temperature" ], "doc": "Model hydrolytic degradation (e.g., polyesters)." }, { "tool_name": "estimate_tg", "args": [ "polymer" ], "doc": "Estimate glass transition temperature." }, { "tool_name": "run_comprehensive_demo", "args": [], "doc": "Run comprehensive demonstration of polymer chemistry capabilities." } ] }, { "id": "research_publication_lab.py", "name": "Research Publication", "description": "Research Publication Laboratory - Automated paper discovery and whitepaper publishing.\n\nFeatures:\n1. Scrape papers from Hugging Face/Papers with Code\n2. Analyze paper relevance to scientific domains\n3. Generate whitepaper drafts for QuLab Infinite research\n4. Publish whitepapers to various platforms\n5. Track publication metrics and citations", "capabilities": [ { "tool_name": "scrape_huggingface_papers", "args": [ "query", "limit", "categories" ], "doc": "Scrape research papers from Hugging Face/Papers with Code\n\nArgs:\n query: Search query (e.g., \"quantum chemistry\", \"machine learning\")\n limit: Maximum number of papers to return\n categories: Filter by categories (e.g., [\"cs.AI\", \"physics.chem-ph\"])\n\nReturns:\n List of PaperMetadata objects" }, { "tool_name": "analyze_paper_relevance", "args": [ "paper", "domains" ], "doc": "Analyze how relevant a paper is to specific scientific domains\n\nArgs:\n paper: PaperMetadata object\n domains: List of domains to check (e.g., [\"quantum\", \"chemistry\", \"materials\"])\n\nReturns:\n Relevance analysis with scores" }, { "tool_name": "generate_whitepaper_draft", "args": [ "topic", "related_papers", "qu_lab_focus" ], "doc": "Generate a whitepaper draft based on research topic and related papers\n\nArgs:\n topic: Research topic (e.g., \"Quantum Chemistry Simulation\")\n related_papers: List of relevant papers\n qu_lab_focus: Specific QuLab focus area\n\nReturns:\n WhitepaperDraft object" }, { "tool_name": "publish_whitepaper", "args": [ "draft", "platform" ], "doc": "Publish a whitepaper to a specified platform\n\nArgs:\n draft: WhitepaperDraft to publish\n platform: Target platform (\"github_pages\", \"medium\", \"arxiv\")\n\nReturns:\n Publication result with URL and status" }, { "tool_name": "research_topic_analysis", "args": [ "topic", "depth" ], "doc": "Perform comprehensive research analysis on a topic\n\nArgs:\n topic: Research topic to analyze\n depth: Analysis depth (\"basic\", \"comprehensive\", \"expert\")\n\nReturns:\n Complete research analysis" } ] }, { "id": "biophysics_lab.py", "name": "Biophysics", "description": "Biological physics simulations", "capabilities": [ { "tool_name": "simulate_protein_folding_energy", "args": [ "sequence" ], "doc": "Calculate protein folding free energy" }, { "tool_name": "calculate_membrane_permeability", "args": [ "molecule_weight", "logP" ], "doc": "Calculate membrane permeability coefficient" }, { "tool_name": "simulate_ion_channel_current", "args": [ "voltage_mv", "conductance_ns" ], "doc": "Calculate ion channel current using Hodgkin-Huxley model" } ] }, { "id": "epigenetics_lab.py", "name": "Epigenetics", "description": "Epigenetic modifications and inheritance", "capabilities": [ { "tool_name": "analyze_methylation_pattern", "args": [ "sequence" ], "doc": "Analyze CpG methylation patterns" }, { "tool_name": "predict_chromatin_state", "args": [ "histone_marks" ], "doc": "Predict chromatin state from histone modifications" }, { "tool_name": "simulate_inheritance", "args": [ "parent_methylation", "generations" ], "doc": "Simulate epigenetic inheritance" } ] }, { "id": "generative_design_lab.py", "name": "Generative Design", "description": "", "capabilities": [ { "tool_name": "find_optimal_material", "args": [ "target_property", "constraints" ], "doc": "Simulates an inverse design process where the user asks for a property \n(e.g. \"Maximize Tensile Strength\") and the AI returns the best structure." }, { "tool_name": "run_demo", "args": [], "doc": "No description available." } ] }, { "id": "toxicology_lab.py", "name": "Toxicology", "description": "Advanced toxicology assessment laboratory", "capabilities": [ { "tool_name": "probit_analysis", "args": [ "doses", "responses", "n_animals" ], "doc": "Probit analysis for LD50/LC50 calculation\n\nReference: Finney, D.J. (1971) Probit Analysis, 3rd ed. Cambridge University Press." }, { "tool_name": "logit_analysis", "args": [ "doses", "responses" ], "doc": "Logistic regression for dose-response analysis\n\nReference: Berkson, J. (1944) JASA 39(227):357-365" }, { "tool_name": "hill_equation", "args": [ "concentration", "ic50", "hill_coefficient", "top", "bottom" ], "doc": "Hill equation for dose-response modeling\n\nReference: Hill, A.V. (1910) Journal of Physiology 40:190-224" }, { "tool_name": "benchmark_dose", "args": [ "doses", "responses", "bmr" ], "doc": "Benchmark Dose (BMD) calculation using exponential model\n\nReference: Crump, K.S. (1984) Fundamental and Applied Toxicology 4(5):854-871" }, { "tool_name": "pbpk_model", "args": [ "time", "dose", "route", "params" ], "doc": "Physiologically-Based Pharmacokinetic (PBPK) modeling\n\nReference: Reddy, M. et al. (2005) Physiologically Based Pharmacokinetic Modeling. Wiley." }, { "tool_name": "predict_admet", "args": [], "doc": "Predict ADMET properties using QSAR models\n\nReference: Lipinski, C.A. et al. (2001) Advanced Drug Delivery Reviews 46(1-3):3-26" }, { "tool_name": "organ_toxicity_index", "args": [ "dose", "duration_days", "organ" ], "doc": "Calculate organ-specific toxicity index\n\nReference: Krewski, D. et al. (2010) Journal of Toxicology and Environmental Health B 13(2-4):51-138" }, { "tool_name": "calculate_noael", "args": [ "doses", "responses", "control_response", "alpha" ], "doc": "Calculate NOAEL (No Observed Adverse Effect Level) and LOAEL\n\nReference: OECD (2008) Guidelines for the Testing of Chemicals" }, { "tool_name": "therapeutic_index", "args": [ "ld50", "ed50" ], "doc": "Calculate therapeutic index (safety margin)\n\nReference: Muller, P.Y. & Milton, M.N. (2012) Nature Reviews Drug Discovery 11(10):751-761" }, { "tool_name": "allometric_scaling", "args": [ "dose_animal", "weight_animal", "species_from", "species_to" ], "doc": "Interspecies dose scaling using allometry\n\nReference: Reagan-Shaw, S. et al. (2008) FASEB Journal 22(3):659-661" }, { "tool_name": "margin_of_safety", "args": [ "noael", "human_dose", "safety_factors" ], "doc": "Calculate margin of safety with uncertainty factors\n\nReference: Dourson, M.L. & Stara, J.F. (1983) Regulatory Toxicology and Pharmacology 3(3):224-238" }, { "tool_name": "genotoxicity_battery", "args": [], "doc": "Predict standard genotoxicity test battery results\n\nReference: ICH S2(R1) Guidance on Genotoxicity Testing" } ] }, { "id": "pharmacology_lab.py", "name": "Pharmacology", "description": "Comprehensive pharmacology laboratory for PK/PD modeling and analysis.\nImplements validated models used in clinical pharmacology research.", "capabilities": [ { "tool_name": "one_compartment_model", "args": [ "dose", "params", "time", "iv" ], "doc": "One-compartment PK model with first-order elimination.\n\nArgs:\n dose: Drug dose in mg\n params: PK parameters\n time: Time points in hours\n iv: If True, IV bolus; if False, oral with absorption\n\nReturns:\n Plasma concentrations at each time point (mg/L)" }, { "tool_name": "two_compartment_model", "args": [ "dose", "k10", "k12", "k21", "v1", "time" ], "doc": "Two-compartment PK model (central and peripheral compartments).\n\nArgs:\n dose: Drug dose in mg\n k10: Elimination rate from central compartment (1/h)\n k12: Transfer rate central\u2192peripheral (1/h)\n k21: Transfer rate peripheral\u2192central (1/h)\n v1: Central compartment volume (L)\n time: Time points in hours\n\nReturns:\n Tuple of (central concentrations, peripheral concentrations) in mg/L" }, { "tool_name": "three_compartment_model", "args": [ "dose", "params_dict", "time" ], "doc": "Three-compartment PK model (central + two peripheral compartments).\n\nArgs:\n dose: Drug dose in mg\n params_dict: Dictionary with rate constants (k10, k12, k21, k13, k31) and v1\n time: Time points in hours\n\nReturns:\n Tuple of (central, peripheral1, peripheral2) concentrations in mg/L" }, { "tool_name": "emax_model", "args": [ "concentration", "params" ], "doc": "Emax pharmacodynamic model: E = E0 + Emax * C / (EC50 + C)\n\nArgs:\n concentration: Drug concentration(s)\n params: PD parameters\n\nReturns:\n Pharmacological effect" }, { "tool_name": "sigmoid_emax_model", "args": [ "concentration", "params" ], "doc": "Sigmoid Emax model (Hill equation): E = E0 + Emax * C^n / (EC50^n + C^n)\n\nArgs:\n concentration: Drug concentration(s)\n params: PD parameters including hill_coefficient\n\nReturns:\n Pharmacological effect" }, { "tool_name": "indirect_response_model", "args": [ "concentration", "time", "params", "inhibition" ], "doc": "Indirect response model for delayed drug effects.\n\nArgs:\n concentration: Drug concentrations over time\n time: Time points\n params: PD parameters\n inhibition: If True, drug inhibits; if False, drug stimulates\n\nReturns:\n Response over time" }, { "tool_name": "calculate_bioavailability", "args": [ "auc_oral", "auc_iv", "dose_oral", "dose_iv" ], "doc": "Calculate absolute bioavailability from AUC data.\n\nF = (AUC_oral / Dose_oral) / (AUC_iv / Dose_iv)\n\nArgs:\n auc_oral: Area under curve for oral administration\n auc_iv: Area under curve for IV administration\n dose_oral: Oral dose\n dose_iv: IV dose\n\nReturns:\n Bioavailability fraction (0-1)" }, { "tool_name": "calculate_clearance", "args": [ "dose", "auc" ], "doc": "Calculate total body clearance.\n\nCL = Dose / AUC\n\nArgs:\n dose: Drug dose (mg)\n auc: Area under concentration-time curve (mg*h/L)\n\nReturns:\n Clearance in L/h" }, { "tool_name": "renal_clearance", "args": [ "fu", "gfr", "secretion_rate", "reabsorption_fraction" ], "doc": "Calculate renal clearance considering filtration, secretion, and reabsorption.\n\nCLr = fu * GFR + Secretion - Reabsorption\n\nArgs:\n fu: Fraction unbound in plasma (0-1)\n gfr: Glomerular filtration rate (mL/min)\n secretion_rate: Active secretion rate (mL/min)\n reabsorption_fraction: Fraction reabsorbed (0-1)\n\nReturns:\n Renal clearance in L/h" }, { "tool_name": "hepatic_clearance", "args": [ "fu", "intrinsic_clearance", "hepatic_blood_flow" ], "doc": "Calculate hepatic clearance using well-stirred model.\n\nCLh = Q * fu * CLint / (Q + fu * CLint)\n\nArgs:\n fu: Fraction unbound in plasma\n intrinsic_clearance: Intrinsic clearance (L/h)\n hepatic_blood_flow: Hepatic blood flow (L/h), uses default if None\n\nReturns:\n Hepatic clearance in L/h" }, { "tool_name": "population_pk_parameters", "args": [ "n_subjects", "typical_cl", "typical_vd", "omega_cl", "omega_vd", "seed" ], "doc": "Generate population PK parameters with inter-individual variability.\nUses log-normal distribution for PK parameters.\n\nArgs:\n n_subjects: Number of subjects\n typical_cl: Population typical clearance (L/h)\n typical_vd: Population typical volume (L)\n omega_cl: CV for clearance (coefficient of variation)\n omega_vd: CV for volume of distribution\n seed: Random seed for reproducibility\n\nReturns:\n List of PKParameters for each subject" }, { "tool_name": "mixed_effects_model", "args": [ "concentrations", "covariates", "fixed_effects" ], "doc": "Simple mixed-effects model for population PK analysis.\n\nArgs:\n concentrations: Observed concentrations\n covariates: Dictionary of covariates (e.g., weight, age, creatinine)\n fixed_effects: Initial estimates of fixed effects\n\nReturns:\n Predicted concentrations and estimated parameters" }, { "tool_name": "therapeutic_window_analysis", "args": [ "concentrations", "min_effective", "max_toxic", "time" ], "doc": "Analyze drug concentrations relative to therapeutic window.\n\nArgs:\n concentrations: Drug concentrations\n min_effective: Minimum effective concentration\n max_toxic: Maximum toxic concentration\n time: Time points (optional)\n\nReturns:\n Dictionary with therapeutic metrics" }, { "tool_name": "calculate_half_life", "args": [ "concentrations", "time", "terminal_points" ], "doc": "Calculate elimination half-life from terminal phase.\n\nArgs:\n concentrations: Drug concentrations\n time: Time points\n terminal_points: Number of points to use for terminal phase\n\nReturns:\n Tuple of (half_life, r_squared of fit)" }, { "tool_name": "volume_of_distribution", "args": [ "dose", "concentration_0", "body_weight" ], "doc": "Calculate different volumes of distribution.\n\nArgs:\n dose: Drug dose (mg)\n concentration_0: Initial concentration (mg/L)\n body_weight: Body weight in kg\n\nReturns:\n Dictionary with different Vd calculations" }, { "tool_name": "validate_parameters", "args": [ "params" ], "doc": "Validate pharmacological parameters are within reasonable ranges.\n\nArgs:\n params: PK or PD parameters to validate\n\nReturns:\n True if valid, raises ValueError if not" } ] }, { "id": "immunology_lab.py", "name": "Immunology", "description": "Production-ready immunology simulation laboratory.", "capabilities": [ { "tool_name": "generate_antibody_repertoire", "args": [ "diversity" ], "doc": "Generate diverse antibody repertoire through V(D)J recombination." }, { "tool_name": "antibody_antigen_affinity", "args": [ "antibody", "antigen" ], "doc": "Calculate binding affinity between antibody and antigen." }, { "tool_name": "somatic_hypermutation", "args": [ "antibody", "mutation_rate" ], "doc": "Simulate somatic hypermutation in B cells." }, { "tool_name": "affinity_maturation", "args": [ "initial_antibody", "antigen", "generations", "population_size" ], "doc": "Simulate affinity maturation in germinal centers." }, { "tool_name": "t_cell_activation", "args": [ "signal1_strength", "signal2_strength", "signal3_cytokines" ], "doc": "Model T cell activation with three-signal model." }, { "tool_name": "simulate_infection_response", "args": [ "pathogen_load", "duration_days" ], "doc": "Simulate complete immune response to infection." }, { "tool_name": "simulate_vaccination", "args": [ "vaccine_type", "doses", "duration_days" ], "doc": "Simulate immune response to vaccination." }, { "tool_name": "model_cytokine_network", "args": [ "initial_stimulus", "time_steps" ], "doc": "Model cytokine signaling network dynamics." }, { "tool_name": "calculate_neutralizing_antibody_titer", "args": [ "antibodies", "virus" ], "doc": "Calculate neutralizing antibody titer against virus." }, { "tool_name": "mhc_peptide_binding", "args": [ "peptide", "mhc_allele" ], "doc": "Predict MHC-peptide binding affinity." }, { "tool_name": "tcr_repertoire_diversity", "args": [ "repertoire_size" ], "doc": "Analyze T cell receptor repertoire diversity." }, { "tool_name": "simulate_autoimmune_response", "args": [ "self_antigen", "tolerance_threshold" ], "doc": "Simulate breakdown of immunological tolerance." }, { "tool_name": "model_immunosenescence", "args": [ "age_years" ], "doc": "Model age-related changes in immune function." }, { "tool_name": "simulate_immunotherapy", "args": [ "therapy_type", "tumor_burden", "duration_weeks" ], "doc": "Simulate cancer immunotherapy response." }, { "tool_name": "run_comprehensive_analysis", "args": [], "doc": "Run complete immunology analysis pipeline." } ] }, { "id": "mechanical_engineering_lab.py", "name": "Mechanical Engineering", "description": "Comprehensive mechanical engineering calculations including:\n- Stress and strain analysis\n- Fatigue life prediction\n- Vibration analysis\n- Heat transfer calculations\n- Fluid mechanics\n- Finite Element Analysis basics", "capabilities": [ { "tool_name": "calculate_stress", "args": [ "force", "area" ], "doc": "Calculate normal stress using \u03c3 = F/A\n\nArgs:\n force: Applied force in Newtons\n area: Cross-sectional area in m^2\n\nReturns:\n Stress in Pa" }, { "tool_name": "calculate_strain", "args": [ "stress" ], "doc": "Calculate strain using Hooke's Law: \u03b5 = \u03c3/E\n\nArgs:\n stress: Applied stress in Pa\n\nReturns:\n Strain (dimensionless)" }, { "tool_name": "von_mises_stress", "args": [ "sigma_x", "sigma_y", "sigma_z", "tau_xy", "tau_yz", "tau_xz" ], "doc": "Calculate von Mises equivalent stress for 3D stress state\n\n\u03c3_vm = sqrt(0.5 * [(\u03c3_x - \u03c3_y)\u00b2 + (\u03c3_y - \u03c3_z)\u00b2 + (\u03c3_z - \u03c3_x)\u00b2 + 6(\u03c4_xy\u00b2 + \u03c4_yz\u00b2 + \u03c4_xz\u00b2)])\n\nArgs:\n sigma_x, sigma_y, sigma_z: Normal stresses in Pa\n tau_xy, tau_yz, tau_xz: Shear stresses in Pa\n\nReturns:\n Von Mises equivalent stress in Pa" }, { "tool_name": "principal_stresses", "args": [ "sigma_x", "sigma_y", "tau_xy" ], "doc": "Calculate principal stresses and angle for 2D stress state\n\nArgs:\n sigma_x, sigma_y: Normal stresses in Pa\n tau_xy: Shear stress in Pa\n\nReturns:\n Tuple of (\u03c3_1, \u03c3_2, \u03b8_p) where \u03b8_p is principal angle in radians" }, { "tool_name": "fatigue_life_basquin", "args": [ "stress_amplitude", "fatigue_strength_coeff", "fatigue_strength_exp" ], "doc": "Calculate fatigue life using Basquin's equation: \u03c3_a = \u03c3_f' * (2N_f)^b\n\nArgs:\n stress_amplitude: Stress amplitude in Pa\n fatigue_strength_coeff: Fatigue strength coefficient (default: 0.9 * ultimate_strength)\n fatigue_strength_exp: Fatigue strength exponent (typically -0.05 to -0.12)\n\nReturns:\n Number of cycles to failure" }, { "tool_name": "goodman_diagram", "args": [ "mean_stress", "alternating_stress", "endurance_limit" ], "doc": "Calculate safety factor using Goodman criterion for fatigue under mean stress\n\nGoodman equation: \u03c3_a/S_e + \u03c3_m/S_ut = 1/n\n\nArgs:\n mean_stress: Mean stress in Pa\n alternating_stress: Alternating stress in Pa\n endurance_limit: Material endurance limit (default: 0.5 * ultimate_strength)\n\nReturns:\n Safety factor" }, { "tool_name": "natural_frequency_beam", "args": [ "length", "width", "height", "boundary" ], "doc": "Calculate natural frequency of a rectangular beam\n\nArgs:\n length: Beam length in meters\n width: Beam width in meters\n height: Beam height in meters\n boundary: Boundary condition ('simply_supported', 'cantilever', 'fixed')\n\nReturns:\n Natural frequency in Hz" }, { "tool_name": "damped_vibration", "args": [ "mass", "stiffness", "damping", "time", "initial_disp", "initial_vel" ], "doc": "Calculate response of damped single degree of freedom system\n\nArgs:\n mass: Mass in kg\n stiffness: Spring stiffness in N/m\n damping: Damping coefficient in N\u00b7s/m\n time: Time array in seconds\n initial_disp: Initial displacement in meters\n initial_vel: Initial velocity in m/s\n\nReturns:\n Displacement array in meters" }, { "tool_name": "heat_conduction_1d", "args": [ "length", "temp_hot", "temp_cold", "area", "thermal_resistance" ], "doc": "Calculate 1D steady-state heat conduction using Fourier's law\n\nArgs:\n length: Material thickness in meters\n temp_hot: Hot side temperature in K\n temp_cold: Cold side temperature in K\n area: Cross-sectional area in m^2\n thermal_resistance: Additional thermal resistance in K/W\n\nReturns:\n Dictionary with heat flux, heat rate, and thermal resistance" }, { "tool_name": "convection_heat_transfer", "args": [ "surface_temp", "fluid_temp", "area", "heat_transfer_coeff" ], "doc": "Calculate convective heat transfer using Newton's law of cooling\n\nArgs:\n surface_temp: Surface temperature in K\n fluid_temp: Fluid temperature in K\n area: Surface area in m^2\n heat_transfer_coeff: Convection coefficient in W/(m^2\u00b7K)\n\nReturns:\n Dictionary with heat rate and heat flux" }, { "tool_name": "reynolds_number", "args": [ "velocity", "characteristic_length", "viscosity" ], "doc": "Calculate Reynolds number for fluid flow\n\nRe = \u03c1VL/\u03bc\n\nArgs:\n velocity: Flow velocity in m/s\n characteristic_length: Characteristic length in meters\n viscosity: Dynamic viscosity in Pa\u00b7s (default: air at 20\u00b0C)\n\nReturns:\n Reynolds number (dimensionless)" }, { "tool_name": "pressure_drop_pipe", "args": [ "flow_rate", "pipe_diameter", "pipe_length", "roughness", "viscosity" ], "doc": "Calculate pressure drop in pipe using Darcy-Weisbach equation\n\nArgs:\n flow_rate: Volumetric flow rate in m^3/s\n pipe_diameter: Pipe internal diameter in meters\n pipe_length: Pipe length in meters\n roughness: Pipe roughness in meters (default: commercial steel)\n viscosity: Fluid dynamic viscosity in Pa\u00b7s (default: water)\n\nReturns:\n Dictionary with pressure drop, velocity, Reynolds number, and friction factor" }, { "tool_name": "finite_element_stiffness_matrix", "args": [ "length", "area" ], "doc": "Generate stiffness matrix for 1D bar element (basic FEA)\n\nArgs:\n length: Element length in meters\n area: Cross-sectional area in m^2\n\nReturns:\n 2x2 stiffness matrix in N/m" }, { "tool_name": "beam_deflection", "args": [ "length", "load", "width", "height", "load_type" ], "doc": "Calculate maximum deflection of a beam under various loading conditions\n\nArgs:\n length: Beam length in meters\n load: Applied load in N (point) or N/m (distributed)\n width: Beam width in meters\n height: Beam height in meters\n load_type: Type of loading ('point_center', 'point_end', 'distributed')\n\nReturns:\n Maximum deflection in meters" }, { "tool_name": "thermal_stress", "args": [ "temp_change", "constrained" ], "doc": "Calculate thermal stress due to temperature change\n\nArgs:\n temp_change: Change in temperature in K\n constrained: Whether thermal expansion is constrained\n\nReturns:\n Thermal stress in Pa (if constrained) or strain (if unconstrained)" } ] }, { "id": "immunology_lab.py", "name": "Immunology", "description": "Production immunology laboratory with validated models", "capabilities": [ { "tool_name": "simulate_antibody_antigen_binding", "args": [ "antibody_conc_nM", "antigen_conc_nM", "affinity", "duration_s" ], "doc": "Simulate antibody-antigen binding kinetics using Langmuir model\n\nArgs:\n antibody_conc_nM: Antibody concentration (nM)\n antigen_conc_nM: Antigen concentration (nM)\n affinity: 'high_affinity', 'medium_affinity', or 'low_affinity'\n duration_s: Duration in seconds\n\nReturns:\n Binding kinetics data" }, { "tool_name": "simulate_immune_response", "args": [ "pathogen_dose", "pathogen_growth_rate", "duration_days" ], "doc": "Simulate complete immune response to pathogen\n\nArgs:\n pathogen_dose: Initial pathogen count\n pathogen_growth_rate: Doubling time (hours)\n duration_days: Simulation duration\n\nReturns:\n Immune response dynamics" }, { "tool_name": "calculate_vaccine_efficacy", "args": [ "vaccine_type", "dose_schedule", "adjuvant" ], "doc": "Calculate vaccine efficacy based on vaccine parameters\n\nArgs:\n vaccine_type: 'mRNA', 'protein', 'inactivated', 'live_attenuated'\n dose_schedule: Days for each dose\n adjuvant: Whether adjuvant is included\n\nReturns:\n Vaccine efficacy metrics" }, { "tool_name": "simulate_autoimmune_disease", "args": [ "disease", "duration_months", "treatment" ], "doc": "Simulate autoimmune disease progression\n\nArgs:\n disease: 'rheumatoid_arthritis', 'lupus', 'multiple_sclerosis', 'type1_diabetes'\n duration_months: Simulation duration\n treatment: 'corticosteroid', 'dmard', 'biologic', None\n\nReturns:\n Disease progression metrics" } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (6.6 million+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "geophysics_lab.py", "name": "Geophysics", "description": "Production-ready geophysics simulation and analysis", "capabilities": [ { "tool_name": "earthquake_magnitude_energy", "args": [ "magnitude", "scale" ], "doc": "Calculate earthquake energy release from magnitude\nSupports moment magnitude (Mw) and Richter scale (ML)\n\nArgs:\n magnitude: Earthquake magnitude\n scale: 'moment' (Mw) or 'richter' (ML)\n\nReturns:\n Dictionary with energy, TNT equivalent, and seismic properties" }, { "tool_name": "seismic_wave_arrival", "args": [ "epicenter_distance_km", "focal_depth_km" ], "doc": "Calculate P-wave and S-wave arrival times\nUses straight-ray approximation through homogeneous crust\n\nArgs:\n epicenter_distance_km: Horizontal distance from epicenter\n focal_depth_km: Earthquake focal depth\n\nReturns:\n Dictionary with arrival times and travel paths" }, { "tool_name": "plate_motion_model", "args": [ "spreading_rate_mm_yr", "time_years" ], "doc": "Model seafloor spreading and plate motion\nBased on constant spreading rate assumption\n\nArgs:\n spreading_rate_mm_yr: Spreading rate in mm/year\n time_years: Time array in years\n\nReturns:\n Dictionary with plate positions and magnetic anomalies" }, { "tool_name": "gravity_anomaly", "args": [ "density_contrast_kg_m3", "body_depth_m", "body_radius_m", "distance_m" ], "doc": "Calculate gravity anomaly from buried spherical mass\nUses point mass approximation for distant observations\n\nArgs:\n density_contrast_kg_m3: Density contrast with surroundings\n body_depth_m: Depth to center of mass\n body_radius_m: Radius of spherical body\n distance_m: Horizontal distance array\n\nReturns:\n Dictionary with gravity anomaly profile" }, { "tool_name": "mineral_identification", "args": [ "density_measured", "hardness_measured", "tolerance_density", "tolerance_hardness" ], "doc": "Identify minerals based on physical properties\nCompares measured values against mineral database\n\nArgs:\n density_measured: Measured density in kg/m\u00b3\n hardness_measured: Measured Mohs hardness\n tolerance_density: Density matching tolerance\n tolerance_hardness: Hardness matching tolerance\n\nReturns:\n Dictionary with candidate minerals and confidence scores" }, { "tool_name": "resource_grade_estimation", "args": [ "sample_grades", "sample_locations", "cutoff_grade" ], "doc": "Estimate mineral resource grade and tonnage\nUses statistical methods for ore body characterization\n\nArgs:\n sample_grades: Array of assay grades (e.g., % metal)\n sample_locations: Array of sample depths (m)\n cutoff_grade: Economic cutoff grade\n\nReturns:\n Dictionary with resource statistics and classification" }, { "tool_name": "seismic_moment_tensor", "args": [ "strike", "dip", "rake", "magnitude" ], "doc": "Calculate seismic moment tensor from fault parameters\nUses double-couple representation\n\nArgs:\n strike: Fault strike angle (0-360\u00b0)\n dip: Fault dip angle (0-90\u00b0)\n rake: Slip rake angle (-180 to 180\u00b0)\n magnitude: Moment magnitude\n\nReturns:\n Dictionary with moment tensor components and fault type" }, { "tool_name": "run_diagnostics", "args": [], "doc": "Run comprehensive geophysics diagnostics" } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "cardiology_lab.py", "name": "Cardiology", "description": "Production cardiology laboratory with validated physiological models", "capabilities": [ { "tool_name": "simulate_cardiac_cycle", "args": [ "heart_rate", "contractility", "duration_s" ], "doc": "Simulate complete cardiac cycle with pressure-volume relationships\n\nArgs:\n heart_rate: Heart rate (bpm)\n contractility: Contractility factor (1.0 = normal)\n duration_s: Duration in seconds\n\nReturns:\n Cardiac cycle data" }, { "tool_name": "generate_ecg_signal", "args": [ "heart_rate", "rhythm", "duration_s", "sampling_rate" ], "doc": "Generate realistic ECG signal\n\nArgs:\n heart_rate: Heart rate (bpm)\n rhythm: 'normal_sinus', 'atrial_fib', 'ventricular_tach'\n duration_s: Duration in seconds\n sampling_rate: Sampling rate (Hz)\n\nReturns:\n ECG signal data" }, { "tool_name": "calculate_blood_flow", "args": [ "vessel_radius_mm", "vessel_length_cm", "pressure_drop_mmHg" ], "doc": "Calculate blood flow using Poiseuille's Law\n\nArgs:\n vessel_radius_mm: Vessel inner radius (mm)\n vessel_length_cm: Vessel length (cm)\n pressure_drop_mmHg: Pressure difference (mmHg)\n\nReturns:\n Blood flow calculations" }, { "tool_name": "simulate_drug_effect", "args": [ "drug", "dose_mg", "duration_hours" ], "doc": "Simulate cardiac drug effects over time\n\nArgs:\n drug: Drug type\n dose_mg: Dose in mg\n duration_hours: Simulation duration\n\nReturns:\n Drug effect timeline" } ] }, { "id": "atmospheric_lab.py", "name": "Atmospheric", "description": "Production-ready atmospheric science simulation and analysis", "capabilities": [ { "tool_name": "energy_balance_model", "args": [ "co2_ppm", "albedo", "ocean_heat_capacity" ], "doc": "Zero-dimensional energy balance climate model\nBased on Budyko-Sellers model with radiative forcing\n\nArgs:\n co2_ppm: CO2 concentration (parts per million)\n albedo: Planetary albedo (0-1)\n ocean_heat_capacity: Ocean heat capacity (J/(m^2\u00b7K))\n\nReturns:\n Dictionary with equilibrium temperature and forcing" }, { "tool_name": "greenhouse_gas_forcing", "args": [ "concentrations" ], "doc": "Calculate radiative forcing from multiple greenhouse gases\nUses IPCC AR6 simplified expressions\n\nArgs:\n concentrations: Dict with gas names and concentrations\n CO2 in ppm, others in ppb\n\nReturns:\n Dictionary with individual and total forcing" }, { "tool_name": "atmospheric_pressure_profile", "args": [ "altitude_km", "temperature_profile" ], "doc": "Calculate atmospheric pressure and density vs altitude\nUses barometric formula with realistic temperature profile\n\nArgs:\n altitude_km: Altitude array in kilometers\n temperature_profile: Optional temperature profile (K), uses US Standard Atmosphere if None\n\nReturns:\n Dictionary with pressure, density, and temperature profiles" }, { "tool_name": "air_quality_index", "args": [ "pollutants", "standard" ], "doc": "Calculate Air Quality Index from pollutant concentrations\nBased on EPA AQI calculation method\n\nArgs:\n pollutants: Dict with pollutant concentrations\n PM2.5, PM10 in \u03bcg/m\u00b3\n O3, CO, SO2, NO2 in ppb or ppm\n standard: 'EPA' (US) or 'WHO' (World Health Organization)\n\nReturns:\n Dictionary with AQI values and health categories" }, { "tool_name": "simple_weather_prediction", "args": [ "initial_conditions", "forecast_hours" ], "doc": "Simplified numerical weather prediction using primitive equations\nImplements basic advection-diffusion for temperature and pressure\n\nArgs:\n initial_conditions: Dict with T (K), P (Pa), u (m/s), v (m/s)\n forecast_hours: Forecast duration in hours\n\nReturns:\n Dictionary with forecasted temperature and pressure evolution" }, { "tool_name": "run_diagnostics", "args": [], "doc": "Run comprehensive atmospheric science diagnostics" } ] }, { "id": "atmospheric_science_lab.py", "name": "Atmospheric Science", "description": "Main laboratory interface for atmospheric science simulations\nIntegrates climate modeling, air quality, and weather prediction", "capabilities": [ { "tool_name": "run_comprehensive_climate_analysis", "args": [ "co2_ppm", "ch4_ppb", "n2o_ppb", "projection_years" ], "doc": "Run complete climate analysis with current greenhouse gas levels\n\nArgs:\n co2_ppm: CO2 concentration\n ch4_ppb: CH4 concentration\n n2o_ppb: N2O concentration\n projection_years: Years to project\n\nReturns:\n Comprehensive climate analysis results" }, { "tool_name": "run_air_quality_assessment", "args": [ "pollutants" ], "doc": "Comprehensive air quality assessment\n\nArgs:\n pollutants: Dictionary of pollutant concentrations\n\nReturns:\n Air quality analysis with health recommendations" }, { "tool_name": "run_greenhouse_gas_scenario", "args": [ "emissions_gt_per_year", "years" ], "doc": "Simulate greenhouse gas emission scenario\n\nArgs:\n emissions_gt_per_year: Annual emissions\n years: Simulation duration\n\nReturns:\n CO2 cycle simulation and climate impact" }, { "tool_name": "run_weather_forecast_analysis", "args": [ "altitude_m", "surface_temp_c", "relative_humidity", "surface_pressure_hpa" ], "doc": "Comprehensive weather analysis at specified altitude\n\nArgs:\n altitude_m: Altitude for analysis\n surface_temp_c: Surface temperature\n relative_humidity: Relative humidity (0-1)\n surface_pressure_hpa: Surface pressure\n\nReturns:\n Complete weather analysis" } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (1000+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (1000+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "quantum_lab.py", "name": "Quantum", "description": "Unified quantum laboratory simulator.\n\nFeatures:\n- 30-qubit exact statevector simulation\n- Tensor network approximation for >30 qubits\n- Quantum chemistry integration\n- Materials science quantum calculations\n- Quantum sensor modeling\n- Cognition-inspired algorithms\n\nIntegration:\n- Wraps existing CircuitSimulator (30-qubit exact)\n- Wraps QuantumCognition (quantum-inspired)\n- Extends with chemistry, materials, sensors\n\nECH0 Usage Examples:\n```python\n# Basic circuit simulation\nlab = QuantumLabSimulator(num_qubits=5)\nlab.h(0) # Hadamard on qubit 0\nlab.cnot(0, 1) # Entangle qubits\nresults = lab.measure_all()\n\n# Chemistry calculation\nfrom quantum_chemistry import Molecule\nh2 = Molecule.hydrogen_molecule(bond_length=0.74)\nenergy = lab.chemistry.compute_ground_state_energy(h2)\n\n# Materials property\nenergy_gap = lab.materials.compute_band_gap(\"silicon\")\n\n# Quantum sensing\nsensitivity = lab.sensors.magnetometry_sensitivity(num_qubits=10)\n```", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a quantum experiment.\n\nExample spec:\n{\n \"experiment_type\": \"bell_pair\",\n}\n{\n \"experiment_type\": \"ghz_state\",\n \"num_qubits\": 4\n}\n{\n \"experiment_type\": \"custom_circuit\",\n \"operations\": [\n {\"gate\": \"h\", \"qubit\": 0},\n {\"gate\": \"cnot\", \"control\": 0, \"target\": 1}\n ]\n}" }, { "tool_name": "get_status", "args": [], "doc": "Get information about current backend and state." }, { "tool_name": "h", "args": [ "qubit" ], "doc": "Apply Hadamard gate" }, { "tool_name": "x", "args": [ "qubit" ], "doc": "Apply Pauli-X gate" }, { "tool_name": "y", "args": [ "qubit" ], "doc": "Apply Pauli-Y gate" }, { "tool_name": "z", "args": [ "qubit" ], "doc": "Apply Pauli-Z gate" }, { "tool_name": "rx", "args": [ "qubit", "theta" ], "doc": "Apply RX rotation" }, { "tool_name": "ry", "args": [ "qubit", "theta" ], "doc": "Apply RY rotation" }, { "tool_name": "rz", "args": [ "qubit", "theta" ], "doc": "Apply RZ rotation" }, { "tool_name": "cnot", "args": [ "control", "target" ], "doc": "Apply CNOT gate" }, { "tool_name": "cz", "args": [ "control", "target" ], "doc": "Apply CZ gate" }, { "tool_name": "measure", "args": [ "qubit" ], "doc": "Measure single qubit" }, { "tool_name": "measure_all", "args": [], "doc": "Measure all qubits" }, { "tool_name": "get_probabilities", "args": [], "doc": "Get probability distribution" }, { "tool_name": "expectation_value", "args": [ "observable" ], "doc": "Compute expectation value of observable.\n\nArgs:\n observable: Pauli string like 'Z0' or 'X0Y1Z2'\n\nReturns:\n Expectation value <\u03c8|O|\u03c8>" }, { "tool_name": "fidelity", "args": [ "target_state" ], "doc": "Compute fidelity with target state.\n\nF = |<\u03c8|\u03c6>|\u00b2" }, { "tool_name": "chemistry", "args": [], "doc": "Access quantum chemistry module" }, { "tool_name": "materials", "args": [], "doc": "Access quantum materials module" }, { "tool_name": "sensors", "args": [], "doc": "Access quantum sensors module" }, { "tool_name": "reset", "args": [], "doc": "Reset quantum state to |0\u27e9^n" }, { "tool_name": "print_state", "args": [ "top_n" ], "doc": "Print quantum state" }, { "tool_name": "get_backend_info", "args": [], "doc": "Get information about current backend" } ] }, { "id": "chemistry_lab.py", "name": "Chemistry", "description": "Unified chemistry laboratory interface.\n\nProvides access to:\n1. Molecular Dynamics (100k atoms @ 1fs)\n2. Reaction Simulation (TST, NEB, catalysis)\n3. Synthesis Planning (retrosynthesis, optimization)\n4. Spectroscopy Prediction (NMR, IR, UV-Vis, MS, XRD)\n5. Solvation Models (PCM, COSMO, SMD, pH effects)\n6. Quantum Chemistry (DFT, HF, MP2, CCSD(T))\n\nTarget accuracy: <5% error on reaction energetics, <10% on spectroscopy", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a chemistry experiment." }, { "tool_name": "get_status", "args": [], "doc": "Returns a summary of the lab's configuration and capabilities." }, { "tool_name": "calculate_dissolution_enthalpy", "args": [ "salt", "solvent", "temperature_K" ], "doc": "Compute the dissolution enthalpy for an ionic solid using the Born-Haber cycle.\n\nArgs:\n salt: Salt formula (e.g., \"NaCl\")\n solvent: Solvent identifier\n temperature_K: Temperature in Kelvin\n\nReturns:\n Dictionary with \u0394H (kJ/mol) and source metadata." }, { "tool_name": "create_md_simulation", "args": [ "atoms", "box_size", "force_field", "ensemble", "timestep" ], "doc": "Create molecular dynamics simulation." }, { "tool_name": "run_md_simulation", "args": [ "n_steps", "temperature", "output_interval" ], "doc": "Run MD simulation." }, { "tool_name": "simulate_reaction", "args": [ "reactants", "products", "conditions", "reaction_name", "materials_lab", "environment_simulator" ], "doc": "Simulate chemical reaction and predict kinetics." }, { "tool_name": "get_reaction_metadata", "args": [ "reaction_name" ], "doc": "Expose reaction metadata summary." }, { "tool_name": "plan_synthesis", "args": [ "target", "max_depth" ], "doc": "Plan synthesis route to target compound." }, { "tool_name": "analyze_synthesis_safety", "args": [ "route" ], "doc": "Analyze safety of synthesis route." }, { "tool_name": "predict_nmr", "args": [ "molecule", "nucleus" ], "doc": "Predict NMR spectrum." }, { "tool_name": "predict_ir", "args": [ "molecule" ], "doc": "Predict IR spectrum." }, { "tool_name": "predict_uv_vis", "args": [ "molecule" ], "doc": "Predict UV-Vis spectrum." }, { "tool_name": "predict_mass_spectrum", "args": [ "molecule" ], "doc": "Predict mass spectrum." }, { "tool_name": "calculate_solvation_energy", "args": [ "solute", "solvent_name", "model" ], "doc": "Calculate solvation free energy." }, { "tool_name": "predict_logP", "args": [ "solute" ], "doc": "Predict octanol-water partition coefficient." }, { "tool_name": "calculate_pH_effect", "args": [ "solute", "pH", "pKa" ], "doc": "Calculate pH effects on ionization." }, { "tool_name": "quantum_calculation", "args": [ "molecule", "method", "basis_set" ], "doc": "Perform quantum chemistry calculation." }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method" ], "doc": "Optimize molecular geometry." }, { "tool_name": "calculate_vibrational_frequencies", "args": [ "molecule" ], "doc": "Calculate vibrational frequencies." }, { "tool_name": "complete_molecule_characterization", "args": [ "molecule" ], "doc": "Complete characterization of molecule:\n- Spectroscopy (NMR, IR, UV-Vis, MS)\n- Solvation (logP, solubility)\n- Quantum properties (HOMO-LUMO, dipole)" }, { "tool_name": "reaction_optimization_workflow", "args": [ "reactants", "products", "catalysts" ], "doc": "Optimize reaction conditions:\n- Find optimal catalyst\n- Determine best temperature/pressure\n- Predict yields" } ] }, { "id": "universal_lab.py", "name": "Universal", "description": "", "capabilities": [ { "tool_name": "get_lab_info", "args": [ "lab_id" ], "doc": "Introspects a lab file to find classes and methods." }, { "tool_name": "combine_materials", "args": [ "materials", "conditions" ], "doc": "Simulates the combination of materials under given conditions." } ] }, { "id": "frequency_lab.py", "name": "Frequency", "description": "", "capabilities": [ { "tool_name": "capture_and_analyze", "args": [ "center_freq", "bandwidth", "sample_rate" ], "doc": "Capture signals from the SDR and perform frequency analysis." }, { "tool_name": "scan_wifi_beacons", "args": [], "doc": "Scan for Wi-Fi beacons in the 2.4 GHz band.\nThis is a simplified demonstration. A real scan would hop channels." }, { "tool_name": "deauth_wifi_target", "args": [ "bssid", "client" ], "doc": "Transmit deauthentication packets to a target client on a network.\nWARNING: This is for educational purposes only. Unauthorized deauthentication\nattacks are illegal." }, { "tool_name": "generate_and_transmit", "args": [ "signal_params" ], "doc": "Generate a signal based on params and transmit it." }, { "tool_name": "transmit_signal", "args": [ "signal", "center_freq", "sample_rate" ], "doc": "Transmit a signal using the SDR." }, { "tool_name": "run_sweep", "args": [ "start_freq", "end_freq", "step_freq", "bandwidth", "sample_rate" ], "doc": "Sweep a frequency range and analyze the spectrum." } ] }, { "id": "protein_engineering_lab.py", "name": "Protein Engineering", "description": "Production protein engineering laboratory with validated models", "capabilities": [ { "tool_name": "get_reference_sequence", "args": [ "name" ], "doc": "Retrieve a curated protein sequence.\n\nArgs:\n name: Protein identifier (e.g., 'lysozyme')" }, { "tool_name": "calculate_isoelectric_point", "args": [ "sequence", "precision", "composition_override" ], "doc": "Calculate the isoelectric point (pI) for a protein sequence.\n\nUses a Henderson-Hasselbalch charge balance with standard pKa values." }, { "tool_name": "predict_protein_folding", "args": [ "sequence", "iterations" ], "doc": "Predict protein 3D structure (simplified AlphaFold-style)\n\nArgs:\n sequence: Amino acid sequence\n iterations: Optimization iterations\n\nReturns:\n Predicted protein structure" }, { "tool_name": "simulate_enzyme_kinetics", "args": [ "enzyme_name", "vmax", "km" ], "doc": "Simulate Michaelis-Menten enzyme kinetics\n\nArgs:\n enzyme_name: Enzyme identifier\n vmax: Maximum velocity (\u03bcM/s)\n km: Michaelis constant (\u03bcM)\n\nReturns:\n Enzyme kinetics data" }, { "tool_name": "calculate_binding_affinity", "args": [ "protein_sequence", "ligand_name", "binding_site_residues" ], "doc": "Calculate protein-ligand binding affinity\n\nArgs:\n protein_sequence: Protein sequence\n ligand_name: Ligand identifier\n binding_site_residues: Residue indices in binding site\n\nReturns:\n Binding affinity metrics" }, { "tool_name": "predict_mutation_effect", "args": [ "sequence", "position", "new_amino_acid" ], "doc": "Predict effect of point mutation\n\nArgs:\n sequence: Original sequence\n position: Position to mutate (0-indexed)\n new_amino_acid: New amino acid (single letter)\n\nReturns:\n Mutation effect prediction" }, { "tool_name": "design_stabilizing_mutations", "args": [ "sequence", "n_mutations" ], "doc": "Design mutations to stabilize protein\n\nArgs:\n sequence: Original sequence\n n_mutations: Number of mutations to design\n\nReturns:\n List of proposed stabilizing mutations" } ] }, { "id": "quantum_lab.py", "name": "Quantum", "description": "Unified quantum laboratory simulator.\n\nFeatures:\n- 30-qubit exact statevector simulation\n- Tensor network approximation for >30 qubits\n- Quantum chemistry integration\n- Materials science quantum calculations\n- Quantum sensor modeling\n- Cognition-inspired algorithms\n\nIntegration:\n- Wraps existing CircuitSimulator (30-qubit exact)\n- Wraps QuantumCognition (quantum-inspired)\n- Extends with chemistry, materials, sensors\n\nECH0 Usage Examples:\n```python\n# Basic circuit simulation\nlab = QuantumLabSimulator(num_qubits=5)\nlab.h(0) # Hadamard on qubit 0\nlab.cnot(0, 1) # Entangle qubits\nresults = lab.measure_all()\n\n# Chemistry calculation\nfrom quantum_chemistry import Molecule\nh2 = Molecule.hydrogen_molecule(bond_length=0.74)\nenergy = lab.chemistry.compute_ground_state_energy(h2)\n\n# Materials property\nenergy_gap = lab.materials.compute_band_gap(\"silicon\")\n\n# Quantum sensing\nsensitivity = lab.sensors.magnetometry_sensitivity(num_qubits=10)\n```", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a quantum experiment.\n\nExample spec:\n{\n \"experiment_type\": \"bell_pair\",\n}\n{\n \"experiment_type\": \"ghz_state\",\n \"num_qubits\": 4\n}\n{\n \"experiment_type\": \"custom_circuit\",\n \"operations\": [\n {\"gate\": \"h\", \"qubit\": 0},\n {\"gate\": \"cnot\", \"control\": 0, \"target\": 1}\n ]\n}" }, { "tool_name": "get_status", "args": [], "doc": "Get information about current backend and state." }, { "tool_name": "h", "args": [ "qubit" ], "doc": "Apply Hadamard gate" }, { "tool_name": "x", "args": [ "qubit" ], "doc": "Apply Pauli-X gate" }, { "tool_name": "y", "args": [ "qubit" ], "doc": "Apply Pauli-Y gate" }, { "tool_name": "z", "args": [ "qubit" ], "doc": "Apply Pauli-Z gate" }, { "tool_name": "rx", "args": [ "qubit", "theta" ], "doc": "Apply RX rotation" }, { "tool_name": "ry", "args": [ "qubit", "theta" ], "doc": "Apply RY rotation" }, { "tool_name": "rz", "args": [ "qubit", "theta" ], "doc": "Apply RZ rotation" }, { "tool_name": "cnot", "args": [ "control", "target" ], "doc": "Apply CNOT gate" }, { "tool_name": "cz", "args": [ "control", "target" ], "doc": "Apply CZ gate" }, { "tool_name": "measure", "args": [ "qubit" ], "doc": "Measure single qubit" }, { "tool_name": "measure_all", "args": [], "doc": "Measure all qubits" }, { "tool_name": "get_probabilities", "args": [], "doc": "Get probability distribution" }, { "tool_name": "expectation_value", "args": [ "observable" ], "doc": "Compute expectation value of observable.\n\nArgs:\n observable: Pauli string like 'Z0' or 'X0Y1Z2'\n\nReturns:\n Expectation value <\u03c8|O|\u03c8>" }, { "tool_name": "fidelity", "args": [ "target_state" ], "doc": "Compute fidelity with target state.\n\nF = |<\u03c8|\u03c6>|\u00b2" }, { "tool_name": "chemistry", "args": [], "doc": "Access quantum chemistry module" }, { "tool_name": "materials", "args": [], "doc": "Access quantum materials module" }, { "tool_name": "sensors", "args": [], "doc": "Access quantum sensors module" }, { "tool_name": "reset", "args": [], "doc": "Reset quantum state to |0\u27e9^n" }, { "tool_name": "print_state", "args": [ "top_n" ], "doc": "Print quantum state" }, { "tool_name": "get_backend_info", "args": [], "doc": "Get information about current backend" } ] }, { "id": "magic_rd_lab.py", "name": "Magic Rd", "description": "Magic R&D Lab - Advanced Computing as a Service\n\nSimple pricing: Rent our \"magic machine\" by the hour, day, or week.\nPerfect for:\n- Quantum computing research\n- AI/ML model training\n- Complex scientific simulations\n- Data analysis at scale\n- Computational chemistry/physics\n- Custom R&D projects", "capabilities": [ { "tool_name": "create_customer", "args": [ "name", "company", "email" ], "doc": "Create new customer account." }, { "tool_name": "book_session", "args": [ "customer_id", "package", "project_description" ], "doc": "Book an R&D Lab session." }, { "tool_name": "get_session_status", "args": [ "session_id" ], "doc": "Get status of an R&D session." }, { "tool_name": "get_customer_dashboard", "args": [ "customer_id" ], "doc": "Get customer dashboard with all sessions and stats." }, { "tool_name": "get_pricing_info", "args": [], "doc": "Get pricing information for marketing." }, { "tool_name": "get_business_metrics", "args": [], "doc": "Get business performance metrics." } ] }, { "id": "magic_rd_lab.py", "name": "Magic Rd", "description": "Magic R&D Lab - Advanced Computing as a Service\n\nSimple pricing: Rent our \"magic machine\" by the hour, day, or week.\nPerfect for:\n- Quantum computing research\n- AI/ML model training\n- Complex scientific simulations\n- Data analysis at scale\n- Computational chemistry/physics\n- Custom R&D projects", "capabilities": [ { "tool_name": "create_customer", "args": [ "name", "company", "email" ], "doc": "Create new customer account." }, { "tool_name": "book_session", "args": [ "customer_id", "package", "project_description" ], "doc": "Book an R&D Lab session." }, { "tool_name": "get_session_status", "args": [ "session_id" ], "doc": "Get status of an R&D session." }, { "tool_name": "get_customer_dashboard", "args": [ "customer_id" ], "doc": "Get customer dashboard with all sessions and stats." }, { "tool_name": "get_pricing_info", "args": [], "doc": "Get pricing information for marketing." }, { "tool_name": "get_business_metrics", "args": [], "doc": "Get business performance metrics." } ] }, { "id": "nuclear_lab.py", "name": "Nuclear", "description": "Production-ready nuclear physics simulation and analysis", "capabilities": [ { "tool_name": "radioactive_decay", "args": [ "isotope", "initial_activity_Bq", "time_array_seconds" ], "doc": "Model radioactive decay using exponential decay law\nN(t) = N0 * exp(-\u03bbt), where \u03bb = ln(2)/T_half\n\nArgs:\n isotope: Isotope name (e.g., 'U-238', 'C-14')\n initial_activity_Bq: Initial activity in Becquerels\n time_array_seconds: Time points for calculation\n\nReturns:\n Dictionary with activity, nuclei count, and energy release" }, { "tool_name": "fusion_reaction_rate", "args": [ "reaction", "temperature_keV", "density_m3" ], "doc": "Calculate fusion reaction rate using Maxwellian-averaged cross-section\nRate = n1 * n2 * <\u03c3v> where <\u03c3v> is reactivity\n\nArgs:\n reaction: Reaction name (e.g., 'D-T', 'D-D_branch1')\n temperature_keV: Plasma temperature in keV\n density_m3: Number density (particles/m\u00b3)\n\nReturns:\n Dictionary with reaction rate and power output" }, { "tool_name": "fusion_triple_product", "args": [ "temperature_keV", "density_m3", "confinement_time_s" ], "doc": "Calculate fusion triple product (nT\u03c4) and assess ignition condition\nIgnition requires nT\u03c4 > 5\u00d710\u00b2\u00b9 keV\u00b7s/m\u00b3\n\nArgs:\n temperature_keV: Plasma temperature\n density_m3: Number density\n confinement_time_s: Energy confinement time\n\nReturns:\n Dictionary with triple product and ignition assessment" }, { "tool_name": "radiation_attenuation", "args": [ "radiation_type", "initial_intensity", "material", "thickness_cm" ], "doc": "Calculate radiation attenuation through shielding material\nUses exponential attenuation: I = I0 * exp(-\u03bcx)\n\nArgs:\n radiation_type: 'gamma', 'beta', 'alpha', 'neutron'\n initial_intensity: Initial intensity (arbitrary units)\n material: 'lead', 'concrete', 'water', 'aluminum', 'steel'\n thickness_cm: Shield thickness in cm\n\nReturns:\n Dictionary with transmitted intensity and attenuation" }, { "tool_name": "fission_chain_reaction", "args": [ "initial_neutrons", "k_effective", "generation_time_s", "num_generations" ], "doc": "Model nuclear fission chain reaction\nn(t) = n0 * k^t for discrete generations\n\nArgs:\n initial_neutrons: Initial neutron population\n k_effective: Effective multiplication factor\n generation_time_s: Time between generations\n num_generations: Number of generations to simulate\n\nReturns:\n Dictionary with neutron population evolution" }, { "tool_name": "mass_energy_equivalence", "args": [ "mass_kg", "energy_J" ], "doc": "Convert between mass and energy using E=mc\u00b2\n\nArgs:\n mass_kg: Mass in kilograms (provide either mass or energy)\n energy_J: Energy in Joules\n\nReturns:\n Dictionary with conversions" }, { "tool_name": "run_diagnostics", "args": [], "doc": "Run comprehensive nuclear physics diagnostics" } ] }, { "id": "genomics_lab.py", "name": "Genomics", "description": "Production genomics laboratory with validated scientific algorithms", "capabilities": [ { "tool_name": "generate_random_sequence", "args": [ "length", "gc_content" ], "doc": "Generate random DNA sequence with specified GC content\n\nArgs:\n length: Sequence length in base pairs\n gc_content: Target GC content (0-1)\n\nReturns:\n DNA sequence string" }, { "tool_name": "sequence_dna", "args": [ "sequence", "coverage" ], "doc": "Simulate DNA sequencing with realistic error rates\n\nArgs:\n sequence: Input DNA sequence\n coverage: Sequencing coverage depth\n\nReturns:\n Sequencing results with quality scores" }, { "tool_name": "analyze_gene_expression", "args": [ "gene_name", "tissue" ], "doc": "Analyze gene expression levels using GTEx-like parameters\n\nArgs:\n gene_name: Gene identifier\n tissue: Tissue type\n\nReturns:\n Expression analysis results" }, { "tool_name": "design_crispr_guide", "args": [ "target_sequence", "position" ], "doc": "Design CRISPR-Cas9 guide RNA with on-target scoring\nBased on Doench et al. 2016 algorithm\n\nArgs:\n target_sequence: Target DNA sequence\n position: Position in sequence to target\n\nReturns:\n CRISPR target information" }, { "tool_name": "predict_mutation_effect", "args": [ "original_seq", "position", "mutated_base" ], "doc": "Predict mutation pathogenicity using CADD-like scoring\n\nArgs:\n original_seq: Original DNA sequence\n position: Mutation position\n mutated_base: New base\n\nReturns:\n Mutation object with pathogenicity prediction" }, { "tool_name": "simulate_mutation_accumulation", "args": [ "sequence", "generations" ], "doc": "Simulate mutation accumulation over generations\n\nArgs:\n sequence: Initial DNA sequence\n generations: Number of generations\n\nReturns:\n List of accumulated mutations" }, { "tool_name": "rna_sequencing", "args": [ "gene_name", "tissue" ], "doc": "Simulate RNA-Seq experiment\n\nArgs:\n gene_name: Gene to sequence\n tissue: Tissue type\n\nReturns:\n RNA-Seq results" } ] }, { "id": "astrobiology_lab.py", "name": "Astrobiology", "description": "Production-ready astrobiology simulation and analysis", "capabilities": [ { "tool_name": "habitable_zone", "args": [ "stellar_luminosity", "stellar_temperature" ], "doc": "Calculate habitable zone boundaries for a star\nUses energy balance models (Kopparapu et al. 2013)\n\nArgs:\n stellar_luminosity: Star luminosity (solar units)\n stellar_temperature: Star effective temperature (K)\n\nReturns:\n Dictionary with inner and outer HZ boundaries" }, { "tool_name": "planetary_habitability_index", "args": [ "surface_temp_K", "atmosphere_present", "liquid_water", "energy_source", "organic_compounds", "stellar_activity" ], "doc": "Calculate planetary habitability index (0-1 scale)\nBased on multiple habitability factors\n\nArgs:\n surface_temp_K: Surface temperature\n atmosphere_present: Has substantial atmosphere\n liquid_water: Has liquid water\n energy_source: Has chemical or radiative energy source\n organic_compounds: Has organic chemistry\n stellar_activity: Stellar activity level (1.0 = solar-like)\n\nReturns:\n Dictionary with habitability score and factors" }, { "tool_name": "biosignature_detection", "args": [ "atmospheric_composition", "spectral_snr" ], "doc": "Assess biosignature detectability in exoplanet atmosphere\nBased on spectroscopic observability\n\nArgs:\n atmospheric_composition: Gas mixing ratios (ppm)\n spectral_snr: Signal-to-noise ratio of spectrum\n\nReturns:\n Dictionary with biosignature assessment" }, { "tool_name": "drake_equation", "args": [ "custom_params" ], "doc": "Calculate Drake equation estimate for communicating civilizations\nN = R* \u00d7 fp \u00d7 ne \u00d7 fl \u00d7 fi \u00d7 fc \u00d7 L\n\nArgs:\n custom_params: Optional custom parameter values\n\nReturns:\n Dictionary with Drake equation results" }, { "tool_name": "extremophile_survival", "args": [ "temperature_K", "pH", "salinity_percent", "pressure_atm", "radiation_Gy_yr" ], "doc": "Model extremophile organism survival under extreme conditions\nBased on known extremophile tolerance ranges\n\nArgs:\n temperature_K: Environmental temperature\n pH: Acidity/alkalinity\n salinity_percent: Salt concentration\n pressure_atm: Pressure in atmospheres\n radiation_Gy_yr: Ionizing radiation dose per year\n\nReturns:\n Dictionary with survival probability and tolerant organisms" }, { "tool_name": "prebiotic_chemistry_yield", "args": [ "energy_source", "atmosphere_type", "temperature_K", "time_years" ], "doc": "Estimate prebiotic organic compound synthesis yield\nBased on Miller-Urey and related experiments\n\nArgs:\n energy_source: 'lightning', 'UV', 'hydrothermal', 'cosmic_rays'\n atmosphere_type: 'reducing', 'neutral', 'oxidizing'\n temperature_K: Reaction temperature\n time_years: Reaction timescale\n\nReturns:\n Dictionary with yield estimates and complexity" }, { "tool_name": "run_diagnostics", "args": [], "doc": "Run comprehensive astrobiology diagnostics" } ] }, { "id": "chemistry_lab.py", "name": "Chemistry", "description": "Unified chemistry laboratory interface.\n\nProvides access to:\n1. Molecular Dynamics (100k atoms @ 1fs)\n2. Reaction Simulation (TST, NEB, catalysis)\n3. Synthesis Planning (retrosynthesis, optimization)\n4. Spectroscopy Prediction (NMR, IR, UV-Vis, MS, XRD)\n5. Solvation Models (PCM, COSMO, SMD, pH effects)\n6. Quantum Chemistry (DFT, HF, MP2, CCSD(T))\n\nTarget accuracy: <5% error on reaction energetics, <10% on spectroscopy", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a chemistry experiment." }, { "tool_name": "get_status", "args": [], "doc": "Returns a summary of the lab's configuration and capabilities." }, { "tool_name": "calculate_dissolution_enthalpy", "args": [ "salt", "solvent", "temperature_K" ], "doc": "Compute the dissolution enthalpy for an ionic solid using the Born-Haber cycle.\n\nArgs:\n salt: Salt formula (e.g., \"NaCl\")\n solvent: Solvent identifier\n temperature_K: Temperature in Kelvin\n\nReturns:\n Dictionary with \u0394H (kJ/mol) and source metadata." }, { "tool_name": "create_md_simulation", "args": [ "atoms", "box_size", "force_field", "ensemble", "timestep" ], "doc": "Create molecular dynamics simulation." }, { "tool_name": "run_md_simulation", "args": [ "n_steps", "temperature", "output_interval" ], "doc": "Run MD simulation." }, { "tool_name": "simulate_reaction", "args": [ "reactants", "products", "conditions", "reaction_name", "materials_lab", "environment_simulator" ], "doc": "Simulate chemical reaction and predict kinetics." }, { "tool_name": "get_reaction_metadata", "args": [ "reaction_name" ], "doc": "Expose reaction metadata summary." }, { "tool_name": "plan_synthesis", "args": [ "target", "max_depth" ], "doc": "Plan synthesis route to target compound." }, { "tool_name": "analyze_synthesis_safety", "args": [ "route" ], "doc": "Analyze safety of synthesis route." }, { "tool_name": "predict_nmr", "args": [ "molecule", "nucleus" ], "doc": "Predict NMR spectrum." }, { "tool_name": "predict_ir", "args": [ "molecule" ], "doc": "Predict IR spectrum." }, { "tool_name": "predict_uv_vis", "args": [ "molecule" ], "doc": "Predict UV-Vis spectrum." }, { "tool_name": "predict_mass_spectrum", "args": [ "molecule" ], "doc": "Predict mass spectrum." }, { "tool_name": "calculate_solvation_energy", "args": [ "solute", "solvent_name", "model" ], "doc": "Calculate solvation free energy." }, { "tool_name": "predict_logP", "args": [ "solute" ], "doc": "Predict octanol-water partition coefficient." }, { "tool_name": "calculate_pH_effect", "args": [ "solute", "pH", "pKa" ], "doc": "Calculate pH effects on ionization." }, { "tool_name": "quantum_calculation", "args": [ "molecule", "method", "basis_set" ], "doc": "Perform quantum chemistry calculation." }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method" ], "doc": "Optimize molecular geometry." }, { "tool_name": "calculate_vibrational_frequencies", "args": [ "molecule" ], "doc": "Calculate vibrational frequencies." }, { "tool_name": "complete_molecule_characterization", "args": [ "molecule" ], "doc": "Complete characterization of molecule:\n- Spectroscopy (NMR, IR, UV-Vis, MS)\n- Solvation (logP, solubility)\n- Quantum properties (HOMO-LUMO, dipole)" }, { "tool_name": "reaction_optimization_workflow", "args": [ "reactants", "products", "catalysts" ], "doc": "Optimize reaction conditions:\n- Find optimal catalyst\n- Determine best temperature/pressure\n- Predict yields" } ] }, { "id": "neuroscience_lab.py", "name": "Neuroscience", "description": "Production neuroscience laboratory with validated models", "capabilities": [ { "tool_name": "create_izhikevich_neuron", "args": [ "neuron_type" ], "doc": "Create Izhikevich neuron model parameters\nIzhikevich (2003) - efficient spiking neuron model\n\nArgs:\n neuron_type: Type of neuron\n\nReturns:\n Dictionary of model parameters" }, { "tool_name": "simulate_neuron_spike", "args": [ "params", "input_current", "duration_ms" ], "doc": "Simulate single neuron using Izhikevich model\n\nArgs:\n params: Neuron parameters\n input_current: Input current (pA)\n duration_ms: Simulation duration\n\nReturns:\n Tuple of (time_array, voltage_array)" }, { "tool_name": "simulate_neural_network", "args": [ "n_neurons", "connectivity", "duration_ms" ], "doc": "Simulate network of interconnected neurons\n\nArgs:\n n_neurons: Number of neurons\n connectivity: Connection probability (0-1)\n duration_ms: Simulation duration\n\nReturns:\n Network activity data" }, { "tool_name": "simulate_neurotransmitter_dynamics", "args": [ "nt_type", "stimulation_times", "duration_ms" ], "doc": "Simulate neurotransmitter release and clearance\n\nArgs:\n nt_type: Neurotransmitter type\n stimulation_times: Times of neural firing (ms)\n duration_ms: Simulation duration\n\nReturns:\n Neurotransmitter concentration over time" }, { "tool_name": "simulate_eeg_signal", "args": [ "brain_state", "duration_s", "sampling_rate" ], "doc": "Simulate EEG signal based on brain state\n\nArgs:\n brain_state: 'awake', 'drowsy', 'asleep', 'deep_sleep'\n duration_s: Duration in seconds\n sampling_rate: Sampling rate in Hz\n\nReturns:\n Brain activity with EEG signal" }, { "tool_name": "calculate_consciousness_metric", "args": [ "neural_activity" ], "doc": "Calculate consciousness metric using simplified Integrated Information Theory (IIT)\n\nBased on Tononi et al. IIT - Phi (\u03a6) measures integrated information\n\nArgs:\n neural_activity: Neural activity matrix (neurons x time)\n\nReturns:\n Phi value (0-1 scale)" } ] }, { "id": "cognitive_lab.py", "name": "Cognitive", "description": "Production-ready cognitive science simulation and analysis", "capabilities": [ { "tool_name": "working_memory_model", "args": [ "num_items", "chunking_strategy", "chunk_size" ], "doc": "Model working memory capacity and performance\nBased on Miller's Law and Baddeley's working memory model\n\nArgs:\n num_items: Number of items to remember\n chunking_strategy: Whether items are chunked\n chunk_size: Size of each chunk\n\nReturns:\n Dictionary with recall probability and capacity analysis" }, { "tool_name": "forgetting_curve", "args": [ "initial_strength", "time_hours", "forgetting_rate", "rehearsal_times" ], "doc": "Model memory decay using Ebbinghaus forgetting curve\nR(t) = R0 * exp(-bt) where b is forgetting rate\n\nArgs:\n initial_strength: Initial memory strength (0-1)\n time_hours: Time array in hours\n forgetting_rate: 'rapid', 'moderate', 'slow'\n rehearsal_times: Optional times (hours) of memory rehearsal\n\nReturns:\n Dictionary with retention over time" }, { "tool_name": "reinforcement_learning", "args": [ "action_history", "reward_history", "learning_rate", "discount_factor" ], "doc": "Model reinforcement learning using Q-learning algorithm\nQ(s,a) \u2190 Q(s,a) + \u03b1[R + \u03b3 max Q(s',a') - Q(s,a)]\n\nArgs:\n action_history: Sequence of actions taken\n reward_history: Rewards received for each action\n learning_rate: Learning rate \u03b1 (0-1)\n discount_factor: Future reward discount \u03b3 (0-1)\n\nReturns:\n Dictionary with learned Q-values and policy" }, { "tool_name": "prospect_theory_value", "args": [ "outcome", "reference_point" ], "doc": "Calculate subjective value using Prospect Theory\nv(x) = x^\u03b1 for gains, -\u03bb(-x)^\u03b2 for losses\n\nArgs:\n outcome: Objective outcome value\n reference_point: Reference point for gain/loss framing\n\nReturns:\n Dictionary with subjective value and framing effects" }, { "tool_name": "decision_making_model", "args": [ "options", "decision_mode" ], "doc": "Model decision-making under uncertainty\nSupports rational (expected utility) and heuristic modes\n\nArgs:\n options: List of dicts with 'value' and 'probability'\n decision_mode: 'rational', 'satisficing', 'heuristic'\n\nReturns:\n Dictionary with decision and reasoning" }, { "tool_name": "cognitive_load_model", "args": [ "task_complexity", "intrinsic_load", "extraneous_load", "germane_load" ], "doc": "Model cognitive load using Sweller's Cognitive Load Theory\nTotal load = intrinsic + extraneous + germane\n\nArgs:\n task_complexity: Base task complexity (0-1)\n intrinsic_load: Load from task inherent complexity (0-1)\n extraneous_load: Load from poor design (0-1)\n germane_load: Load from schema construction (0-1)\n\nReturns:\n Dictionary with cognitive load analysis" }, { "tool_name": "attention_model", "args": [ "stimulus_intensity", "stimulus_novelty", "current_focus", "fatigue_level" ], "doc": "Model selective attention based on stimulus properties\nCombines bottom-up (stimulus-driven) and top-down (goal-driven) attention\n\nArgs:\n stimulus_intensity: Physical intensity (0-1)\n stimulus_novelty: Novelty/unexpectedness (0-1)\n current_focus: Current task focus strength (0-1)\n fatigue_level: Mental fatigue (0-1, higher = more tired)\n\nReturns:\n Dictionary with attention allocation" }, { "tool_name": "behavioral_prediction", "args": [ "past_behavior", "context_similarity", "habit_strength" ], "doc": "Predict future behavior based on past patterns\nUses habit formation and context-dependent retrieval\n\nArgs:\n past_behavior: Binary sequence (0=no action, 1=action)\n context_similarity: Similarity to past contexts (0-1)\n habit_strength: Strength of habitual response (0-1)\n\nReturns:\n Dictionary with prediction and confidence" }, { "tool_name": "run_diagnostics", "args": [], "doc": "Run comprehensive cognitive science diagnostics" } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (1000+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "quantum_lab.py", "name": "Quantum", "description": "Unified quantum laboratory simulator.\n\nFeatures:\n- 30-qubit exact statevector simulation\n- Tensor network approximation for >30 qubits\n- Quantum chemistry integration\n- Materials science quantum calculations\n- Quantum sensor modeling\n- Cognition-inspired algorithms\n\nIntegration:\n- Wraps existing CircuitSimulator (30-qubit exact)\n- Wraps QuantumCognition (quantum-inspired)\n- Extends with chemistry, materials, sensors\n\nECH0 Usage Examples:\n```python\n# Basic circuit simulation\nlab = QuantumLabSimulator(num_qubits=5)\nlab.h(0) # Hadamard on qubit 0\nlab.cnot(0, 1) # Entangle qubits\nresults = lab.measure_all()\n\n# Chemistry calculation\nfrom quantum_chemistry import Molecule\nh2 = Molecule.hydrogen_molecule(bond_length=0.74)\nenergy = lab.chemistry.compute_ground_state_energy(h2)\n\n# Materials property\nenergy_gap = lab.materials.compute_band_gap(\"silicon\")\n\n# Quantum sensing\nsensitivity = lab.sensors.magnetometry_sensitivity(num_qubits=10)\n```", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a quantum experiment.\n\nExample spec:\n{\n \"experiment_type\": \"bell_pair\",\n}\n{\n \"experiment_type\": \"ghz_state\",\n \"num_qubits\": 4\n}\n{\n \"experiment_type\": \"custom_circuit\",\n \"operations\": [\n {\"gate\": \"h\", \"qubit\": 0},\n {\"gate\": \"cnot\", \"control\": 0, \"target\": 1}\n ]\n}" }, { "tool_name": "get_status", "args": [], "doc": "Get information about current backend and state." }, { "tool_name": "h", "args": [ "qubit" ], "doc": "Apply Hadamard gate" }, { "tool_name": "x", "args": [ "qubit" ], "doc": "Apply Pauli-X gate" }, { "tool_name": "y", "args": [ "qubit" ], "doc": "Apply Pauli-Y gate" }, { "tool_name": "z", "args": [ "qubit" ], "doc": "Apply Pauli-Z gate" }, { "tool_name": "rx", "args": [ "qubit", "theta" ], "doc": "Apply RX rotation" }, { "tool_name": "ry", "args": [ "qubit", "theta" ], "doc": "Apply RY rotation" }, { "tool_name": "rz", "args": [ "qubit", "theta" ], "doc": "Apply RZ rotation" }, { "tool_name": "cnot", "args": [ "control", "target" ], "doc": "Apply CNOT gate" }, { "tool_name": "cz", "args": [ "control", "target" ], "doc": "Apply CZ gate" }, { "tool_name": "measure", "args": [ "qubit" ], "doc": "Measure single qubit" }, { "tool_name": "measure_all", "args": [], "doc": "Measure all qubits" }, { "tool_name": "get_probabilities", "args": [], "doc": "Get probability distribution" }, { "tool_name": "expectation_value", "args": [ "observable" ], "doc": "Compute expectation value of observable.\n\nArgs:\n observable: Pauli string like 'Z0' or 'X0Y1Z2'\n\nReturns:\n Expectation value <\u03c8|O|\u03c8>" }, { "tool_name": "fidelity", "args": [ "target_state" ], "doc": "Compute fidelity with target state.\n\nF = |<\u03c8|\u03c6>|\u00b2" }, { "tool_name": "chemistry", "args": [], "doc": "Access quantum chemistry module" }, { "tool_name": "materials", "args": [], "doc": "Access quantum materials module" }, { "tool_name": "sensors", "args": [], "doc": "Access quantum sensors module" }, { "tool_name": "reset", "args": [], "doc": "Reset quantum state to |0\u27e9^n" }, { "tool_name": "print_state", "args": [ "top_n" ], "doc": "Print quantum state" }, { "tool_name": "get_backend_info", "args": [], "doc": "Get information about current backend" } ] }, { "id": "chemistry_lab.py", "name": "Chemistry", "description": "Unified chemistry laboratory interface.\n\nProvides access to:\n1. Molecular Dynamics (100k atoms @ 1fs)\n2. Reaction Simulation (TST, NEB, catalysis)\n3. Synthesis Planning (retrosynthesis, optimization)\n4. Spectroscopy Prediction (NMR, IR, UV-Vis, MS, XRD)\n5. Solvation Models (PCM, COSMO, SMD, pH effects)\n6. Quantum Chemistry (DFT, HF, MP2, CCSD(T))\n\nTarget accuracy: <5% error on reaction energetics, <10% on spectroscopy", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a chemistry experiment." }, { "tool_name": "get_status", "args": [], "doc": "Returns a summary of the lab's configuration and capabilities." }, { "tool_name": "calculate_dissolution_enthalpy", "args": [ "salt", "solvent", "temperature_K" ], "doc": "Compute the dissolution enthalpy for an ionic solid using the Born-Haber cycle.\n\nArgs:\n salt: Salt formula (e.g., \"NaCl\")\n solvent: Solvent identifier\n temperature_K: Temperature in Kelvin\n\nReturns:\n Dictionary with \u0394H (kJ/mol) and source metadata." }, { "tool_name": "create_md_simulation", "args": [ "atoms", "box_size", "force_field", "ensemble", "timestep" ], "doc": "Create molecular dynamics simulation." }, { "tool_name": "run_md_simulation", "args": [ "n_steps", "temperature", "output_interval" ], "doc": "Run MD simulation." }, { "tool_name": "simulate_reaction", "args": [ "reactants", "products", "conditions", "reaction_name", "materials_lab", "environment_simulator" ], "doc": "Simulate chemical reaction and predict kinetics." }, { "tool_name": "get_reaction_metadata", "args": [ "reaction_name" ], "doc": "Expose reaction metadata summary." }, { "tool_name": "plan_synthesis", "args": [ "target", "max_depth" ], "doc": "Plan synthesis route to target compound." }, { "tool_name": "analyze_synthesis_safety", "args": [ "route" ], "doc": "Analyze safety of synthesis route." }, { "tool_name": "predict_nmr", "args": [ "molecule", "nucleus" ], "doc": "Predict NMR spectrum." }, { "tool_name": "predict_ir", "args": [ "molecule" ], "doc": "Predict IR spectrum." }, { "tool_name": "predict_uv_vis", "args": [ "molecule" ], "doc": "Predict UV-Vis spectrum." }, { "tool_name": "predict_mass_spectrum", "args": [ "molecule" ], "doc": "Predict mass spectrum." }, { "tool_name": "calculate_solvation_energy", "args": [ "solute", "solvent_name", "model" ], "doc": "Calculate solvation free energy." }, { "tool_name": "predict_logP", "args": [ "solute" ], "doc": "Predict octanol-water partition coefficient." }, { "tool_name": "calculate_pH_effect", "args": [ "solute", "pH", "pKa" ], "doc": "Calculate pH effects on ionization." }, { "tool_name": "quantum_calculation", "args": [ "molecule", "method", "basis_set" ], "doc": "Perform quantum chemistry calculation." }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method" ], "doc": "Optimize molecular geometry." }, { "tool_name": "calculate_vibrational_frequencies", "args": [ "molecule" ], "doc": "Calculate vibrational frequencies." }, { "tool_name": "complete_molecule_characterization", "args": [ "molecule" ], "doc": "Complete characterization of molecule:\n- Spectroscopy (NMR, IR, UV-Vis, MS)\n- Solvation (logP, solubility)\n- Quantum properties (HOMO-LUMO, dipole)" }, { "tool_name": "reaction_optimization_workflow", "args": [ "reactants", "products", "catalysts" ], "doc": "Optimize reaction conditions:\n- Find optimal catalyst\n- Determine best temperature/pressure\n- Predict yields" } ] }, { "id": "chronology_lab.py", "name": "Chronology", "description": "Lab Node for Temporal Physics and Chronology Protection.", "capabilities": [ { "tool_name": "simulate_ctc_formation", "args": [ "acceleration_g", "duration_years", "distance_ly" ], "doc": "Simulates the formation of a Closed Timelike Curve (CTC) between two wormhole mouths.\n\nArgs:\n acceleration_g: Acceleration in Earth gravities (g)\n duration_years: Duration of acceleration in rocket time (years)\n distance_ly: Spatial separation between wormhole mouths (light-years)" }, { "tool_name": "analyze_paradox_probability", "args": [ "action_type", "time_offset_years" ], "doc": "Analyzes the probability of a timeline-destabilizing paradox based on action magnitude.\n\nArgs:\n action_type: Type of retrospective interference (\"physical\", \"informational\", \"none\")\n time_offset_years: Number of years into the past target" } ] }, { "id": "universal_lab.py", "name": "Universal", "description": "", "capabilities": [ { "tool_name": "get_lab_info", "args": [ "lab_id" ], "doc": "Introspects a lab file to find classes and methods." }, { "tool_name": "combine_materials", "args": [ "materials", "conditions" ], "doc": "Simulates the combination of materials under given conditions." } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (1000+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "materials_lab.py", "name": "Materials", "description": "Main Materials Science Laboratory API\n\nProvides unified interface for:\n- Material database access (6.6 million+ materials)\n- Material testing simulations\n- Material design and optimization\n- Property prediction with ML", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a materials science experiment.\n\nArgs:\n experiment_spec: Dictionary specifying the experiment.\n Required keys:\n - 'experiment_type': str (e.g., 'tensile', 'compression', 'hardness')\n - 'material_name': str\n Other keys are passed as kwargs to the respective test method.\n\nReturns:\n A dictionary containing the experiment results." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the Materials Lab.\nFor MaterialsLab, this returns the database statistics." }, { "tool_name": "validate_material_properties", "args": [ "material_name", "properties" ], "doc": "Validate a material's tabulated properties against reference data.\n\nArgs:\n material_name: Name used in the materials database.\n properties: Optional iterable of property names to validate. If\n omitted, all mapped properties for the material are checked.\n raise_on_missing: When True, raise a ValueError if the material or\n requested property does not have a configured reference datum.\n\nReturns:\n Mapping of property name to ValidationResult." }, { "tool_name": "validate_accuracy_suite", "args": [], "doc": "Run the configured accuracy suite for all mapped materials.\n\nReturns:\n Nested mapping of material -> property -> ValidationResult." }, { "tool_name": "get_material", "args": [ "name" ], "doc": "Get material by name" }, { "tool_name": "search_materials", "args": [], "doc": "Search materials by criteria" }, { "tool_name": "list_categories", "args": [], "doc": "List all material categories" }, { "tool_name": "list_materials", "args": [ "category" ], "doc": "List material names, optionally filtered by category." }, { "tool_name": "get_statistics", "args": [], "doc": "Get database statistics" }, { "tool_name": "get_material_profile", "args": [ "material_name" ], "doc": "Generate a detailed property profile with curves and metadata." }, { "tool_name": "get_material_safety", "args": [ "material_name" ], "doc": "Return MSDS-style safety information if available." }, { "tool_name": "register_calibration", "args": [ "material_name", "test_type", "property_name", "reference_value", "measured_value" ], "doc": "Register calibration measurement." }, { "tool_name": "get_calibration_summary", "args": [ "material_name", "test_type" ], "doc": "No description available." }, { "tool_name": "simulate_ice_growth", "args": [ "material_name", "temperature_k", "relative_humidity", "duration_hours" ], "doc": "No description available." }, { "tool_name": "run_batch_experiments", "args": [ "batch_specs" ], "doc": "Run multiple experiments and return serialisable summaries." }, { "tool_name": "tensile_test", "args": [ "material_name" ], "doc": "Run tensile test" }, { "tool_name": "compression_test", "args": [ "material_name" ], "doc": "Run compression test" }, { "tool_name": "fatigue_test", "args": [ "material_name" ], "doc": "Run fatigue test" }, { "tool_name": "impact_test", "args": [ "material_name" ], "doc": "Run impact test" }, { "tool_name": "hardness_test", "args": [ "material_name" ], "doc": "Run hardness test" }, { "tool_name": "thermal_test", "args": [ "material_name", "test_type" ], "doc": "Run thermal test" }, { "tool_name": "corrosion_test", "args": [ "material_name", "test_type" ], "doc": "Run corrosion test" }, { "tool_name": "environmental_test", "args": [ "material_name" ], "doc": "Run environmental test" }, { "tool_name": "optimize_alloy", "args": [ "base_elements", "target_properties" ], "doc": "Optimize alloy composition" }, { "tool_name": "design_composite", "args": [ "fiber_name", "matrix_name" ], "doc": "Design composite material" }, { "tool_name": "add_nanoparticles", "args": [ "base_material_name" ], "doc": "Add nanoparticles to material" }, { "tool_name": "apply_coating", "args": [ "base_material_name" ], "doc": "Apply surface coating" }, { "tool_name": "design_lattice", "args": [ "base_material_name" ], "doc": "Design lattice structure for AM" }, { "tool_name": "predict_from_composition", "args": [ "composition", "properties" ], "doc": "Predict properties from composition" }, { "tool_name": "predict_from_structure", "args": [ "crystal_structure", "bonding_type", "properties" ], "doc": "Predict properties from structure" }, { "tool_name": "predict_by_similarity", "args": [ "reference_material_name", "property_name" ], "doc": "Predict property by similarity" }, { "tool_name": "compare_materials", "args": [ "material_names", "properties" ], "doc": "Compare multiple materials" }, { "tool_name": "find_best_material", "args": [ "category", "optimize_for", "constraints" ], "doc": "Find best material for application\n\nArgs:\n category: Material category to search\n optimize_for: Property to maximize\n constraints: Dict of property constraints (min/max values)" } ] }, { "id": "base_lab.py", "name": "Base", "description": "Abstract base class for all laboratories in QuLabInfinite.\n\nThis class defines the common interface that all specialized labs\n(e.g., MaterialsLab, ChemistryLaboratory, QuantumLabSimulator) must implement.\nThis ensures a consistent API for initialization, configuration,\nand execution of simulations across the platform.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a specific experiment based on the provided specification.\n\nArgs:\n experiment_spec: A dictionary defining the experiment to be run,\n including parameters and desired outputs.\n\nReturns:\n A dictionary containing the results of the experiment." }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory.\n\nReturns:\n A dictionary containing status information, such as backend state,\n loaded data, and available capabilities." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory.\n\nReturns:\n A dictionary describing the capabilities of the lab." } ] }, { "id": "quantum_lab.py", "name": "Quantum", "description": "Unified quantum laboratory simulator.\n\nFeatures:\n- 30-qubit exact statevector simulation\n- Tensor network approximation for >30 qubits\n- Quantum chemistry integration\n- Materials science quantum calculations\n- Quantum sensor modeling\n- Cognition-inspired algorithms\n\nIntegration:\n- Wraps existing CircuitSimulator (30-qubit exact)\n- Wraps QuantumCognition (quantum-inspired)\n- Extends with chemistry, materials, sensors\n\nECH0 Usage Examples:\n```python\n# Basic circuit simulation\nlab = QuantumLabSimulator(num_qubits=5)\nlab.h(0) # Hadamard on qubit 0\nlab.cnot(0, 1) # Entangle qubits\nresults = lab.measure_all()\n\n# Chemistry calculation\nfrom quantum_chemistry import Molecule\nh2 = Molecule.hydrogen_molecule(bond_length=0.74)\nenergy = lab.chemistry.compute_ground_state_energy(h2)\n\n# Materials property\nenergy_gap = lab.materials.compute_band_gap(\"silicon\")\n\n# Quantum sensing\nsensitivity = lab.sensors.magnetometry_sensitivity(num_qubits=10)\n```", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a quantum experiment.\n\nExample spec:\n{\n \"experiment_type\": \"bell_pair\",\n}\n{\n \"experiment_type\": \"ghz_state\",\n \"num_qubits\": 4\n}\n{\n \"experiment_type\": \"custom_circuit\",\n \"operations\": [\n {\"gate\": \"h\", \"qubit\": 0},\n {\"gate\": \"cnot\", \"control\": 0, \"target\": 1}\n ]\n}" }, { "tool_name": "get_status", "args": [], "doc": "Get information about current backend and state." }, { "tool_name": "h", "args": [ "qubit" ], "doc": "Apply Hadamard gate" }, { "tool_name": "x", "args": [ "qubit" ], "doc": "Apply Pauli-X gate" }, { "tool_name": "y", "args": [ "qubit" ], "doc": "Apply Pauli-Y gate" }, { "tool_name": "z", "args": [ "qubit" ], "doc": "Apply Pauli-Z gate" }, { "tool_name": "rx", "args": [ "qubit", "theta" ], "doc": "Apply RX rotation" }, { "tool_name": "ry", "args": [ "qubit", "theta" ], "doc": "Apply RY rotation" }, { "tool_name": "rz", "args": [ "qubit", "theta" ], "doc": "Apply RZ rotation" }, { "tool_name": "cnot", "args": [ "control", "target" ], "doc": "Apply CNOT gate" }, { "tool_name": "cz", "args": [ "control", "target" ], "doc": "Apply CZ gate" }, { "tool_name": "measure", "args": [ "qubit" ], "doc": "Measure single qubit" }, { "tool_name": "measure_all", "args": [], "doc": "Measure all qubits" }, { "tool_name": "get_probabilities", "args": [], "doc": "Get probability distribution" }, { "tool_name": "expectation_value", "args": [ "observable" ], "doc": "Compute expectation value of observable.\n\nArgs:\n observable: Pauli string like 'Z0' or 'X0Y1Z2'\n\nReturns:\n Expectation value <\u03c8|O|\u03c8>" }, { "tool_name": "fidelity", "args": [ "target_state" ], "doc": "Compute fidelity with target state.\n\nF = |<\u03c8|\u03c6>|\u00b2" }, { "tool_name": "chemistry", "args": [], "doc": "Access quantum chemistry module" }, { "tool_name": "materials", "args": [], "doc": "Access quantum materials module" }, { "tool_name": "sensors", "args": [], "doc": "Access quantum sensors module" }, { "tool_name": "reset", "args": [], "doc": "Reset quantum state to |0\u27e9^n" }, { "tool_name": "print_state", "args": [ "top_n" ], "doc": "Print quantum state" }, { "tool_name": "get_backend_info", "args": [], "doc": "Get information about current backend" } ] }, { "id": "chemistry_lab.py", "name": "Chemistry", "description": "Unified chemistry laboratory interface.\n\nProvides access to:\n1. Molecular Dynamics (100k atoms @ 1fs)\n2. Reaction Simulation (TST, NEB, catalysis)\n3. Synthesis Planning (retrosynthesis, optimization)\n4. Spectroscopy Prediction (NMR, IR, UV-Vis, MS, XRD)\n5. Solvation Models (PCM, COSMO, SMD, pH effects)\n6. Quantum Chemistry (DFT, HF, MP2, CCSD(T))\n\nTarget accuracy: <5% error on reaction energetics, <10% on spectroscopy", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a chemistry experiment." }, { "tool_name": "get_status", "args": [], "doc": "Returns a summary of the lab's configuration and capabilities." }, { "tool_name": "calculate_dissolution_enthalpy", "args": [ "salt", "solvent", "temperature_K" ], "doc": "Compute the dissolution enthalpy for an ionic solid using the Born-Haber cycle.\n\nArgs:\n salt: Salt formula (e.g., \"NaCl\")\n solvent: Solvent identifier\n temperature_K: Temperature in Kelvin\n\nReturns:\n Dictionary with \u0394H (kJ/mol) and source metadata." }, { "tool_name": "create_md_simulation", "args": [ "atoms", "box_size", "force_field", "ensemble", "timestep" ], "doc": "Create molecular dynamics simulation." }, { "tool_name": "run_md_simulation", "args": [ "n_steps", "temperature", "output_interval" ], "doc": "Run MD simulation." }, { "tool_name": "simulate_reaction", "args": [ "reactants", "products", "conditions", "reaction_name", "materials_lab", "environment_simulator" ], "doc": "Simulate chemical reaction and predict kinetics." }, { "tool_name": "get_reaction_metadata", "args": [ "reaction_name" ], "doc": "Expose reaction metadata summary." }, { "tool_name": "plan_synthesis", "args": [ "target", "max_depth" ], "doc": "Plan synthesis route to target compound." }, { "tool_name": "analyze_synthesis_safety", "args": [ "route" ], "doc": "Analyze safety of synthesis route." }, { "tool_name": "predict_nmr", "args": [ "molecule", "nucleus" ], "doc": "Predict NMR spectrum." }, { "tool_name": "predict_ir", "args": [ "molecule" ], "doc": "Predict IR spectrum." }, { "tool_name": "predict_uv_vis", "args": [ "molecule" ], "doc": "Predict UV-Vis spectrum." }, { "tool_name": "predict_mass_spectrum", "args": [ "molecule" ], "doc": "Predict mass spectrum." }, { "tool_name": "calculate_solvation_energy", "args": [ "solute", "solvent_name", "model" ], "doc": "Calculate solvation free energy." }, { "tool_name": "predict_logP", "args": [ "solute" ], "doc": "Predict octanol-water partition coefficient." }, { "tool_name": "calculate_pH_effect", "args": [ "solute", "pH", "pKa" ], "doc": "Calculate pH effects on ionization." }, { "tool_name": "quantum_calculation", "args": [ "molecule", "method", "basis_set" ], "doc": "Perform quantum chemistry calculation." }, { "tool_name": "optimize_geometry", "args": [ "molecule", "method" ], "doc": "Optimize molecular geometry." }, { "tool_name": "calculate_vibrational_frequencies", "args": [ "molecule" ], "doc": "Calculate vibrational frequencies." }, { "tool_name": "complete_molecule_characterization", "args": [ "molecule" ], "doc": "Complete characterization of molecule:\n- Spectroscopy (NMR, IR, UV-Vis, MS)\n- Solvation (logP, solubility)\n- Quantum properties (HOMO-LUMO, dipole)" }, { "tool_name": "reaction_optimization_workflow", "args": [ "reactants", "products", "catalysts" ], "doc": "Optimize reaction conditions:\n- Find optimal catalyst\n- Determine best temperature/pressure\n- Predict yields" } ] }, { "id": "universal_lab.py", "name": "Universal", "description": "", "capabilities": [ { "tool_name": "get_lab_info", "args": [ "lab_id" ], "doc": "Introspects a lab file to find classes and methods." }, { "tool_name": "combine_materials", "args": [ "materials", "conditions" ], "doc": "Simulates the combination of materials under given conditions." } ] }, { "id": "vpd_lab.py", "name": "Vpd", "description": "Virtual Product Development Laboratory.\n\nA comprehensive simulation laboratory for virtual product development\nthat enables multi-discipline design integration, real-time collaboration,\nand design optimization across the entire value network.\n\nKey Capabilities:\n- Multi-discipline design integration (mechanical, electrical, systems, software)\n- Product configuration and variant management\n- Bill of Materials (BOM) management with cost rollup\n- Value network collaboration and change management\n- Multi-objective design optimization\n- Trade-off studies and sensitivity analysis\n- Design space exploration\n\nThis lab transforms the innovation process by providing a unified platform\nfor connecting all stakeholders and design domains, reducing design cycle\ntimes and revealing collaboration opportunities early in development.", "capabilities": [ { "tool_name": "run_experiment", "args": [ "experiment_spec" ], "doc": "Run a virtual product development experiment.\n\nSupported experiment types:\n- 'create_product': Create a new product definition\n- 'add_component': Add a component to a product\n- 'create_variant': Create a product variant\n- 'generate_bom': Generate Bill of Materials\n- 'optimize_design': Run design optimization\n- 'trade_off_study': Perform trade-off analysis\n- 'sensitivity_analysis': Analyze parameter sensitivities\n- 'explore_design_space': Explore the design space\n\nArgs:\n experiment_spec: Dictionary with 'type' and type-specific parameters\n\nReturns:\n Dictionary with experiment results" }, { "tool_name": "get_status", "args": [], "doc": "Get the current status of the laboratory." }, { "tool_name": "get_capabilities", "args": [], "doc": "Get the capabilities of the laboratory." }, { "tool_name": "create_product", "args": [ "name", "description", "product_family" ], "doc": "Create a new product definition." }, { "tool_name": "get_product", "args": [ "product_id" ], "doc": "Get a product by ID or the active product." }, { "tool_name": "add_component", "args": [ "product_id", "name", "component_type", "discipline", "parent_id" ], "doc": "Add a component to a product." }, { "tool_name": "create_variant", "args": [ "product_id", "name", "description" ], "doc": "Create a product variant." }, { "tool_name": "generate_bom", "args": [ "product_id", "variant_id", "bom_type" ], "doc": "Generate Bill of Materials for a product." }, { "tool_name": "get_bom_csv", "args": [], "doc": "Export current BOM as CSV." }, { "tool_name": "get_bom_json", "args": [], "doc": "Export current BOM as JSON." }, { "tool_name": "add_stakeholder", "args": [ "name", "email", "role", "organization" ], "doc": "Add a stakeholder to the collaboration hub." }, { "tool_name": "create_task", "args": [ "title", "description", "assigned_to", "priority" ], "doc": "Create a collaboration task." }, { "tool_name": "schedule_review", "args": [ "title", "review_type", "reviewers", "presenter", "components" ], "doc": "Schedule a design review." }, { "tool_name": "submit_change_request", "args": [ "title", "description", "justification", "change_type", "affected_components" ], "doc": "Submit an engineering change request." }, { "tool_name": "setup_optimization", "args": [ "variables", "objectives", "constraints" ], "doc": "Setup optimization problem.\n\nArgs:\n variables: List of dicts with name, min, max, current values\n objectives: List of dicts with name, expression, type (minimize/maximize)\n constraints: List of dicts with name, expression, limit, type" }, { "tool_name": "run_optimization", "args": [ "method" ], "doc": "Run optimization with specified method." }, { "tool_name": "run_trade_off_study", "args": [ "objective_x", "objective_y", "num_points" ], "doc": "Run a trade-off study between two objectives." }, { "tool_name": "run_sensitivity_analysis", "args": [ "solution" ], "doc": "Run sensitivity analysis around a solution." }, { "tool_name": "run_demo", "args": [], "doc": "Run a demonstration of the Virtual Product Development Lab.\n\nCreates a sample product with components, generates BOM,\nsets up collaboration, and runs a simple optimization." } ] }, { "id": "oncology_lab.py", "name": "Oncology", "description": "Main laboratory for conducting cancer experiments\nIntegrates tumor simulation, drug testing, and intervention protocols", "capabilities": [ { "tool_name": "administer_drug", "args": [ "drug_name", "dose_mg" ], "doc": "Administer a drug to the tumor\n\nArgs:\n drug_name: Name of drug from database\n dose_mg: Dose in milligrams" }, { "tool_name": "apply_intervention_protocol", "args": [ "protocol" ], "doc": "Apply a multi-field intervention protocol\n\nArgs:\n protocol: Intervention protocol to apply" }, { "tool_name": "step", "args": [ "dt" ], "doc": "Advance simulation by one time step\n\nArgs:\n dt: Time step in hours (default: from config)" }, { "tool_name": "run_experiment", "args": [ "duration_days", "report_interval_hours" ], "doc": "Run experiment for specified duration\n\nArgs:\n duration_days: How long to run (days)\n report_interval_hours: How often to print progress" }, { "tool_name": "get_results", "args": [], "doc": "Get comprehensive experimental results\n\nReturns:\n Dictionary with all experimental data" }, { "tool_name": "print_summary", "args": [], "doc": "Print experimental summary" } ] }, { "id": "universal_lab.py", "name": "Universal", "description": "", "capabilities": [ { "tool_name": "get_lab_info", "args": [ "lab_id" ], "doc": "Introspects a lab file to find classes and methods." }, { "tool_name": "combine_materials", "args": [ "materials", "conditions" ], "doc": "Simulates the combination of materials under given conditions." } ] } ]