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v1.0.1MIT

Structure prediction, molecule and protein screens and binder design with Boltz.

boltz-small-molecule-screen

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).

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