boltz-mcpb

Boltz job status and result recovery. Use when listing jobs, checking progress, resuming downloads, recovering results, or downloading an existing job ID. Not for starting new jobs.

Boltz CLI setup and auth. Use when installing, updating, verifying, or authenticating `boltz-api`, or fixing missing CLI, PATH, sandbox, browser login, or auth errors.

Design new protein binders with Boltz. Use when generating protein, peptide, antibody, nanobody, or custom binder candidates for a target. Not for screening existing proteins or small molecules.

Screen existing protein binders with Boltz. Use when ranking a supplied protein, peptide, antibody, nanobody, or binder library against a target. Not for designing new proteins or screening small molecules.

Predict Tier-1 ADME/ADMET for small molecules with Boltz from bare SMILES — no target, no docking. Use when the user wants solubility, permeability, or lipophilicity/logD for a molecule or list of molecules. Not for ranking molecules against a protein target (use boltz-small-molecule-screen, which already returns ADME free).

Design new small-molecule binders with Boltz. Use when generating novel ligands or hits for a target without a fixed compound library. Not for screening existing molecules or one-off docking.

Screen existing small-molecule libraries with Boltz. Use when docking, scoring, or ranking a supplied SMILES or compound library against a target; also returns free Tier-1 ADME/ADMET (solubility, permeability, lipophilicity/logD) per molecule. Not for de novo molecule design, one-off docking, or ADME on bare SMILES with no target (use boltz-small-molecule-adme).

Predict structures and binding for one defined complex with Boltz. Use when folding a protein, RNA, DNA, or ligand complex, docking one ligand, predicting an interface, or scoring binding. Not for screening libraries or design.