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Upload converted Boltz-2 checkpoint

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  1. README.md +42 -0
  2. config.json +109 -0
  3. manifest.json +18 -0
  4. model.safetensors +3 -0
README.md ADDED
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+ ---
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+ library_name: "ofoldx"
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+ tags:
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+ - "biology"
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+ - "biomolecular-design"
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+ - "protein"
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+ - "rna"
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+ - "dna"
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+ - "model"
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+ - "boltz2"
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+ - "structure-prediction"
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+ - "protein-structure"
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+ artifact_kind: "model"
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+ repo_id: "oteam/boltz2"
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+ pipeline_tag: "other"
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+ task: "structure_prediction"
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+ widget:
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+ - pipeline_tag: "other"
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+ task: "structure_prediction"
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+ example_title: "Single-chain protein"
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+ text: ">A\nMKTAYIAKQRQISFVKSHFSRQDILD"
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+ input_format: "fasta"
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+ - pipeline_tag: "other"
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+ task: "structure_prediction"
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+ example_title: "Protein complex"
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+ text: ">A\nMKTAYIAKQRQISFVKSHFSRQDILD\n>B\nGSHMRYFVTAVSRPGRGEPRFI"
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+ input_format: "fasta"
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+ ---
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+
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+ # boltz2
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+
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+ This repository contains a biomolecular `model` artifact.
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+ It serves the `structure_prediction` task.
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+ The architecture key is `boltz2`.
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+
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+ The artifact is described by `manifest.json`; runtime configuration and weights stay in their own files.
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+
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+ ```python
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+ from ofoldx import AutoModel
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+
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+ model = AutoModel.from_pretrained("oteam/boltz2")
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+ ```
config.json ADDED
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+ {
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+ "single_size": 384,
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+ "pair_size": 128,
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+ "atom_hidden_size": 128,
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+ "atom_pair_hidden_size": 16,
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+ "atom_feature_size": 388,
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+ "num_bins": 64,
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+ "num_distograms": 1,
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+ "fourier_embedding_size": 256,
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+ "relative_position_size": 139,
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+ "num_bond_types": 7,
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+ "initializer_range": 0.02,
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+ "recycling_steps": 3,
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+ "recycling_detach": true,
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+ "fix_sym_check": true,
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+ "cyclic_pos_enc": true,
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+ "use_templates": true,
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+ "use_templates_v2": true,
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+ "bond_type_feature": true,
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+ "token_level_confidence": true,
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+ "predict_bfactor": true,
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+ "add_s_to_z_prod": true,
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+ "add_s_input_to_s": true,
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+ "add_z_input_to_z": true,
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+ "aggregate_distogram": true,
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+ "conditioning_cutoff_min": 4.0,
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+ "conditioning_cutoff_max": 20.0,
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+ "min_distance": 2.0,
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+ "max_distance": 22.0,
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+ "input_embedder": {
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+ "num_atom_encoder_blocks": 3,
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+ "num_atom_encoder_attention_heads": 4,
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+ "vocab_size": 33,
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+ "msa_profile_size": 34,
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+ "num_method_types": 12,
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+ "num_molecule_types": 4,
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+ "add_method_conditioning": true,
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+ "add_modified_flag": true,
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+ "add_cyclic_flag": true,
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+ "add_mol_type_feat": true
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+ },
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+ "trunk": {
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+ "num_pairformer_blocks": 64,
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+ "num_pair_attention_heads": 16,
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+ "num_msa_blocks": 4,
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+ "msa_size": 64,
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+ "msa_feature_size": 36,
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+ "msa_head_dim": 32,
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+ "num_msa_attention_heads": 8,
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+ "outer_product_hidden_size": 32,
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+ "triangle_attention_hidden_size": 32,
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+ "num_triangle_attention_heads": 4,
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+ "use_paired_feature": true,
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+ "operator_backend": "auto",
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+ "dropout": 0.25,
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+ "msa_dropout": 0.15
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+ },
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+ "template": {
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+ "hidden_size": 64,
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+ "num_blocks": 2,
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+ "num_distogram_bins": 38,
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+ "vocab_size": 33,
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+ "expansion": 4,
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+ "triangle_attention_hidden_size": 32,
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+ "num_triangle_attention_heads": 4,
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+ "min_distance": 3.25,
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+ "max_distance": 50.75
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+ },
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+ "diffusion": {
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+ "num_token_transformer_blocks": 24,
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+ "num_token_transformer_heads": 16,
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+ "num_atom_encoder_blocks": 3,
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+ "num_atom_decoder_blocks": 3,
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+ "num_atom_attention_heads": 4,
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+ "atom_hidden_size": 128,
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+ "atom_pair_hidden_size": 16,
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+ "num_query_atoms": 32,
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+ "num_key_atoms": 128,
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+ "num_conditioning_transitions": 2,
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+ "sigma_data": 16.0,
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+ "alignment_reverse_diff": true,
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+ "operator_backend": "auto"
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+ },
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+ "sampler": {
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+ "solver": "euler",
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+ "num_sampling_steps": 200,
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+ "rho": 7.0,
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+ "max_noise_level": 160.0,
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+ "min_noise_level": 0.0004,
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+ "step_scale": 1.5,
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+ "noise_scale": 1.003,
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+ "churn_rate": 0.8
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+ },
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+ "confidence": {
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+ "num_pairformer_blocks": 8,
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+ "num_pair_attention_heads": 16,
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+ "num_distogram_bins": 64,
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+ "max_distance": 22.0,
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+ "num_plddt_bins": 50,
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+ "num_pae_bins": 64,
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+ "num_pde_bins": 64,
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+ "num_bfactor_bins": 64,
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+ "add_s_to_z_prod": true,
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+ "add_s_input_to_s": true,
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+ "add_z_input_to_z": true,
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+ "use_separate_heads": true,
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+ "token_level": true
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+ }
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+ }
manifest.json ADDED
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+ {
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+ "format": "biomolecular_pretrained",
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+ "format_version": 1,
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+ "kind": "model",
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+ "producer": {
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+ "package": "ofoldx",
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+ "version": "0.1.dev1+g9a78c7e44.d20260609"
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+ },
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+ "entrypoint": "ofoldx.models.boltz2.model.Boltz2Model",
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+ "architecture": "boltz2",
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+ "task": "structure_prediction",
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+ "files": {
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+ "config": "config.json"
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+ },
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+ "weights": {
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+ "default": "model.safetensors"
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+ }
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+ }
model.safetensors ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:b9873bc3a5e19c7a1a36683682a68619440d29b8cf9a78eab807ffb1602b91ac
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+ size 2027725444