autodock

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VIBEGOAT / dockGOAT

A batch-automated virtual screening toolkit for structural bioinformatics. Convert ligand formats, minimize structural energy, and calculate accurate binding affinities via AutoDock Vina.

bioinformatics molecular-dynamics molecular-dynamics-simulation drug-discovery docking drug-design autodock drug-development autodock-vina

Updated Aug 26, 2026
TypeScript

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