| { |
| "architectures": [ |
| "Boltz2Model" |
| ], |
| "auto_map": { |
| "AutoConfig": "modeling_boltz2.Boltz2Config", |
| "AutoModel": "modeling_boltz2.Boltz2Model" |
| }, |
| "core_kwargs": { |
| "alpha_pae": 1, |
| "atom_feature_dim": 388, |
| "atom_s": 128, |
| "atom_z": 16, |
| "atoms_per_window_keys": 128, |
| "atoms_per_window_queries": 32, |
| "bond_type_feature": true, |
| "conditioning_cutoff_max": 20.0, |
| "conditioning_cutoff_min": 4.0, |
| "confidence_model_args": { |
| "add_s_input_to_s": true, |
| "add_s_to_z_prod": true, |
| "add_z_input_to_z": true, |
| "confidence_args": { |
| "num_pae_bins": 64, |
| "num_pde_bins": 64, |
| "num_plddt_bins": 50, |
| "relative_confidence": "none", |
| "use_separate_heads": true |
| }, |
| "max_dist": 22, |
| "no_trunk_feats": false, |
| "num_dist_bins": 64, |
| "pairformer_args": { |
| "dropout": 0.25, |
| "num_blocks": 8, |
| "num_heads": 16, |
| "v2": true |
| }, |
| "use_gaussian": false, |
| "use_miniformer": false, |
| "use_s_diffusion": false |
| }, |
| "confidence_prediction": true, |
| "cyclic_pos_enc": true, |
| "diffusion_process_args": { |
| "P_mean": -1.2, |
| "P_std": 1.5, |
| "alignment_reverse_diff": true, |
| "coordinate_augmentation": true, |
| "gamma_0": 0.8, |
| "gamma_min": 1.0, |
| "mse_rotational_alignment": true, |
| "noise_scale": 1.003, |
| "rho": 7, |
| "sigma_data": 16.0, |
| "sigma_max": 160.0, |
| "sigma_min": 0.0001, |
| "step_scale": 1.5, |
| "step_scale_random": [ |
| 1.0, |
| 1.1, |
| 1.2, |
| 1.3, |
| 1.4, |
| 1.5 |
| ], |
| "synchronize_sigmas": true |
| }, |
| "embedder_args": { |
| "add_cyclic_flag": true, |
| "add_method_conditioning": true, |
| "add_modified_flag": true, |
| "add_mol_type_feat": true, |
| "atom_encoder_depth": 3, |
| "atom_encoder_heads": 4 |
| }, |
| "fix_sym_check": true, |
| "msa_args": { |
| "activation_checkpointing": true, |
| "miniformer_blocks": false, |
| "msa_blocks": 4, |
| "msa_dropout": 0.15, |
| "msa_s": 64, |
| "pairwise_head_width": 32, |
| "pairwise_num_heads": 4, |
| "use_paired_feature": true, |
| "use_trifast": true, |
| "z_dropout": 0.25 |
| }, |
| "num_bins": 64, |
| "pairformer_args": { |
| "activation_checkpointing": true, |
| "dropout": 0.25, |
| "num_blocks": 64, |
| "num_heads": 16, |
| "post_layer_norm": false, |
| "use_trifast": true, |
| "v2": true |
| }, |
| "run_trunk_and_structure": true, |
| "score_model_args": { |
| "activation_checkpointing": true, |
| "atom_decoder_depth": 3, |
| "atom_decoder_heads": 4, |
| "atom_encoder_depth": 3, |
| "atom_encoder_heads": 4, |
| "conditioning_transition_layers": 2, |
| "dim_fourier": 256, |
| "sigma_data": 16, |
| "token_transformer_depth": 24, |
| "token_transformer_heads": 16, |
| "transformer_post_ln": false |
| }, |
| "skip_run_structure": false, |
| "steering_args": { |
| "contact_guidance_update": false, |
| "fk_lambda": 4.0, |
| "fk_resampling_interval": 3, |
| "fk_steering": false, |
| "num_gd_steps": 16, |
| "num_particles": 3, |
| "physical_guidance_update": false |
| }, |
| "token_level_confidence": true, |
| "token_s": 384, |
| "token_z": 128, |
| "use_atom_backbone_feat": false, |
| "use_kernels": false, |
| "use_no_atom_char": false, |
| "use_residue_feats_atoms": false |
| }, |
| "default_diffusion_samples": 5, |
| "default_recycling_steps": 3, |
| "default_sampling_steps": 200, |
| "dtype": "float32", |
| "model_type": "boltz2_automodel", |
| "num_bins": 64, |
| "transformers_version": "4.57.6" |
| } |
|
|
