/tools/CompassDock

CompassDock

BIMSBbioinfo/CompassDock

GitHub
toolsmall-moleculedrug-discoverydockingprotein
21 stars3 forksPythonWebsiteAdded February 4, 2026
summary

CompassDock is a framework for deep learning-based molecular docking that evaluates binding affinities and protein-ligand interactions. It provides tools for assessing the physical and chemical properties of ligands and their bioactivity favorability.

description

Official Implementation of CompassDock

topics

binding-affinitydrug-discoverydrug-target-interactionsmolecular-biologymolecular-dockingprotein-ligand-interactions

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