ChemistryAtlas Benchmark
MoleculeNet: FreeSolv
Physical chemistry benchmarksMoleculeNetchemistry benchmarkleaderboardFreeSolvhydration free energy regression
MoleculeNet benchmark task for hydration free energy regression. It is widely used to compare molecular graph, fingerprint, and foundation-model property predictors.
Benchmark suite: MoleculeNet.
Primary category: Physical chemistry benchmarks.
Leaderboard status: benchmark suite; many public papers and model rankings.
Citation: MoleculeNet: A Benchmark for Molecular Machine Learning