fold_complex
Co-fold one or more protein chains, optionally with small-molecule ligands, using Boltz-2 to predict complex structures and binding affinities.
Instructions
Co-fold one or more protein chains (optionally with small-molecule ligands) using Boltz-2.
Args: protein_sequences: one amino-acid sequence per protein chain. Give the binder AND the target together to score the complex; a binder folded alone does not measure binding. ligand_smiles: optional list of SMILES strings for small-molecule ligands. predict_affinity: if true and a ligand is given, also return a binding-affinity estimate.
Returns a dict with structures, confidence_scores, and (optionally) affinities.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| ligand_smiles | No | ||
| predict_affinity | No | ||
| protein_sequences | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||