/tools/smina-docking-benchmark

smina-docking-benchmark

cieplinski-tobiasz/smina-docking-benchmark

76 stars10 forksPythonAdded February 5, 2026
summary

The smina-docking-benchmark repository provides tools for evaluating molecular docking models and optimizing generated molecules. It includes benchmarks for various models and allows users to generate and assess molecules based on their docking scores.

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