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| "single_size": 384, |
| "pair_size": 128, |
| "atom_feature_size": 385, |
| "relative_position_size": 139, |
| "initializer_range": 0.02, |
| "distogram": { |
| "num_bins": 64 |
| }, |
| "confidence": { |
| "num_plddt_bins": 50, |
| "num_resolved_bins": 2, |
| "num_pae_bins": 64, |
| "num_pde_bins": 64, |
| "distance_bin_start": 3.25, |
| "distance_bin_end": 52.0, |
| "distance_bin_step": 1.25, |
| "max_atoms_per_token": 24, |
| "single_max_abs": 512.0, |
| "num_blocks": 4, |
| "blocks_per_checkpoint": 1, |
| "operator_backend": "auto", |
| "num_pair_attention_heads": 16, |
| "triangle_multiplication_hidden_size": 128, |
| "triangle_attention_hidden_size": 32, |
| "num_triangle_attention_heads": 4, |
| "expansion": 4, |
| "pairformer_dropout": 0.0 |
| }, |
| "trunk": { |
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| "blocks_per_checkpoint": 1, |
| "operator_backend": "auto", |
| "pairformer_dropout": 0.25, |
| "msa_dropout": 0.15, |
| "pair_dropout": 0.25 |
| }, |
| "template": { |
| "hidden_size": 64, |
| "num_blocks": 0, |
| "vocab_size": 32, |
| "num_distogram_bins": 39, |
| "expansion": 2, |
| "dropout": 0.25 |
| }, |
| "denoiser": { |
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| "num_token_encoder_attention_heads": 16, |
| "blocks_per_checkpoint": 1, |
| "operator_backend": "auto", |
| "sigma_data": 16.0, |
| "atom_hidden_size": 128, |
| "atom_pair_hidden_size": 16, |
| "token_hidden_size": 768, |
| "num_atom_encoder_blocks": 3, |
| "num_atom_encoder_attention_heads": 4, |
| "num_atom_decoder_blocks": 3, |
| "num_atom_decoder_attention_heads": 4, |
| "num_query_atoms": 32, |
| "num_key_atoms": 128 |
| }, |
| "sampler": { |
| "solver": "euler", |
| "num_sampling_steps": 200, |
| "churn_rate": 0.8, |
| "min_churn_noise_level": 1.0, |
| "noise_scale": 1.003, |
| "step_scale": 1.5, |
| "center_random_augmentation": true, |
| "max_noise_level": 160.0, |
| "min_noise_level": 0.0004, |
| "rho": 7.0 |
| }, |
| "diffusion_training": { |
| "num_samples": 48, |
| "noise_log_mean": -1.2, |
| "noise_log_std": 1.5, |
| "rollout_steps": 20, |
| "rollout_num_samples": 1 |
| }, |
| "recycling_steps": 4 |
| } |
