/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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