ChemistryAtlas Benchmark
MoleculeNet: PDBbind
Docking and binding benchmarksMoleculeNetchemistry benchmarkleaderboardPDBbindprotein-ligand binding affinity prediction
MoleculeNet benchmark task for protein-ligand binding affinity prediction. It is widely used to compare molecular graph, fingerprint, and foundation-model property predictors.
Benchmark suite: MoleculeNet.
Primary category: Docking and binding benchmarks.
Leaderboard status: benchmark suite; many public papers and model rankings.
Citation: MoleculeNet: A Benchmark for Molecular Machine Learning