ChemistryAtlas Benchmark
MoleculeNet: MUV
Virtual screening benchmarksMoleculeNetchemistry benchmarkleaderboardMUVunbiased virtual-screening benchmark
MoleculeNet benchmark task for unbiased virtual-screening benchmark. It is widely used to compare molecular graph, fingerprint, and foundation-model property predictors.
Benchmark suite: MoleculeNet.
Primary category: Virtual screening benchmarks.
Leaderboard status: benchmark suite; many public papers and model rankings.
Citation: MoleculeNet: A Benchmark for Molecular Machine Learning