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Update reaction visualization to use PIL Image with exact ReactionToImage parameters 63c87ea
Update ReactionToImage parameters for better SVG rendering eaef0cd
Fix reaction SMILES parsing and examples d3c3431
Update README with new reaction visualizer endpoint 42f5484
Add reaction visualizer API endpoint and improve error handling a1cee59
Fix case sensitivity: FractionCsp3 -> FractionCSP3 5ecdd8c
Fix interactive explorer error handling a2aa450
Add interactive molecule explorer with visual property analysis and 3D viewer 53f3a69
Add property calculator, molecular clustering, and scaffold analysis features 4eda0f0
Link Chemiscope load param to dataset json 53712e3
Use chemiscope.org viewer for artifacts c79df26
Use absolute iframe URL when available f26e9e8
Write Chemiscope artifacts inside workspace a54c76c
Serve Chemiscope viewer from local file 9a65f4e
Serve Chemiscope viewer via chemiscope.org iframe 87ac600
Allow Chemiscope iframe rendering c533a44
Patch gradio schema handling aecf51b
Hide API docs to avoid schema bug 7ebefed
Disable caching for Chemiscope examples 65e7b4e
Remove unsupported RDKit param 9d51fe7
Add Chemiscope explorer b18cfa0
Embed interactive 3D orbital viewer directly in app using iframe 71f8c18
Add downloadable interactive 3D HTML files for orbital visualization 6394787
Use matplotlib with 4 viewing angles for reliable orbital visualization 860c7cd
Use py3Dmol's built-in HTML generation for orbital visualization ec4b0c3
Switch to 3Dmol.js for interactive 3D orbital visualization 784d74f
Replace Plotly with Matplotlib for reliable orbital visualization rendering 2780791
Switch from Volume to Isosurface for better orbital visualization rendering 6b65aed
Improve plotly visualization sizing and rendering with CDN and proper styling a0082eb
Fix cube file parsing to follow standard format specification d2f237b
Add SCF convergence check and improve cube file parsing robustness 3d4922f
Add plotly to requirements for orbital visualization 57d550f
Replace py3Dmol with plotly for molecular orbital visualization ac0d410
Replace Psi4/psikit with PySCF for molecular orbital calculations on HF Spaces 47fd570
Add alternative online tools for molecular orbitals when Psi4 is unavailable e921d38
Remove psi4 from requirements as it's not available on HF Spaces afd1cc9
Add psikit, psi4, py3Dmol to requirements and update force_rebuild db1a0e9
Allow orbital tab to resolve names 291f90f
Make orbital tab optional when Psikit unavailable 526a32d
Add molecular orbital visualization tab e7217e1
Add PubChem fallback for SMILES name lookup 26cfee5
Handle resolver outages in SMILES to Name tab 360448f
Fix: Remove problematic examples from SMILES to Name tab to prevent API errors 4954e62
Merge with main branch and keep SMILES to Name feature b30f054
Add SMILES to Name conversion tab b7a9482
Switch orbital rendering to Plotly isosurface for visible HOMO visualization 2c47364
Vaishnav14220 commited on
Simplify to HOMO orbital visualization using Hartree-Fock for faster computation fb7d531
Vaishnav14220 commited on
Implement real quantum orbitals using PySCF - Natural Atomic Orbitals with DFT/B3LYP 1b3c9a7
Vaishnav14220 commited on
Fix autocomplete: use filterable Dropdown instead of Textbox for native autocomplete support e1f2b89
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