/tools/posebusters

posebusters

maabuu/posebusters

353 stars22 forksPythonWebsiteAdded February 4, 2026
summary

PoseBusters is a tool designed to perform plausibility checks on generated molecule poses, particularly in the context of docking studies. It allows users to validate the accuracy of predicted ligand poses against known protein-ligand complexes, contributing to the assessment of molecular docking methods.

description

Plausibility checks for generated molecule poses.

topics

dockingmolecule-generationrdkittesting

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