/tools/PoseBench
PoseBench
BioinfoMachineLearning/PoseBench
204 stars12 forksJupyter NotebookAdded February 4, 2026
summary
PoseBench is a comprehensive benchmarking tool designed for evaluating protein-ligand structure prediction methods. It facilitates the comparison of various inference methods and provides datasets for benchmarking, making it a valuable resource in computational chemistry and molecular biology.
description
Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)
topics
benchmarkcomputational-biologycomputational-chemistrydeep-learningmachine-learningmolecular-dockingstructure-prediction
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