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boltz1

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boltz1
File size: 2,321 Bytes
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{
  "architecture": "boltz1",
  "atom_feature_size": 389,
  "atom_hidden_size": 128,
  "atom_pair_hidden_size": 16,
  "confidence": {
    "add_pair_input_to_pair": true,
    "add_single_input_to_single": true,
    "add_single_to_pair_product": true,
    "compute_pae": true,
    "enabled": true,
    "imitate_trunk": true,
    "max_distance": 22.0,
    "num_distogram_bins": 64,
    "num_pae_bins": 64,
    "num_pair_attention_heads": 16,
    "num_pairformer_blocks": 48,
    "num_pde_bins": 64,
    "num_plddt_bins": 50,
    "num_triangle_attention_heads": 4,
    "pair_dropout": 0.25,
    "ranking_plddt_weight": 4.0,
    "ranking_ptm_weight": 1.0,
    "triangle_attention_head_size": 32,
    "update_single": true,
    "use_single_diffusion": true
  },
  "denoiser": {
    "alignment_reverse_diff": true,
    "atom_hidden_size": 128,
    "atom_pair_hidden_size": 16,
    "num_atom_attention_heads": 4,
    "num_atom_decoder_blocks": 3,
    "num_atom_encoder_blocks": 3,
    "num_conditioning_transitions": 2,
    "num_key_atoms": 128,
    "num_query_atoms": 32,
    "num_token_encoder_attention_heads": 16,
    "num_token_encoder_blocks": 24,
    "sigma_data": 16.0
  },
  "fourier_embedding_size": 256,
  "input_embeddings": {
    "num_atom_encoder_attention_heads": 4,
    "num_atom_encoder_blocks": 3,
    "pocket_feature_size": 4,
    "use_atom_encoder": true,
    "vocab_size": 72
  },
  "num_distogram_bins": 64,
  "num_recycles": 4,
  "pair_size": 128,
  "relative_position_size": 139,
  "sampler": {
    "churn_rate": 0.605,
    "max_noise_level": 160.0,
    "min_churn_noise_level": 1.107,
    "min_noise_level": 0.0004,
    "noise_scale": 0.901,
    "num_sampling_steps": 200,
    "rho": 8.0,
    "step_scale": 1.638
  },
  "single_size": 384,
  "trunk": {
    "msa_attention_head_size": 32,
    "msa_dropout": 0.15,
    "msa_pair_dropout": 0.25,
    "msa_size": 64,
    "msa_triangle_attention_head_size": 32,
    "num_msa_attention_heads": 8,
    "num_msa_blocks": 4,
    "num_msa_triangle_attention_heads": 4,
    "num_pair_attention_heads": 16,
    "num_pairformer_blocks": 48,
    "num_triangle_attention_heads": 4,
    "outer_product_hidden_size": 32,
    "pair_dropout": 0.25,
    "triangle_attention_head_size": 32,
    "update_single": true,
    "use_paired_feature": false
  },
  "use_msa": true
}