ChemistryAtlas Benchmark
MoleculeNet: PCBA
Bioactivity prediction benchmarksMoleculeNetchemistry benchmarkleaderboardPCBAPubChem BioAssay multi-task benchmark
MoleculeNet benchmark task for PubChem BioAssay multi-task benchmark. It is widely used to compare molecular graph, fingerprint, and foundation-model property predictors.
Benchmark suite: MoleculeNet.
Primary category: Bioactivity prediction benchmarks.
Leaderboard status: benchmark suite; many public papers and model rankings.
Citation: MoleculeNet: A Benchmark for Molecular Machine Learning