DeepChem
OSS library bundling molecular ML benchmark datasets and baselines; hosts MoleculeNet.
Kind
meta-platform
Composite
80.0
Benchmarks tracked
40
Direct-linked
40
As of
2026-05-12
Host organisation
DeepChem community
Primary contacts
Bharath Ramsundar, Peter Eastman
Founded
2016
License model
MIT
Official site
GitHub
Count methodology
deepchem.molnet module listing: ~40 packaged datasets (MoleculeNet core + extensions).
Rubric
rigor
4
coverage
4
maintenance
4
adoption
4
quality
4
accessibility
5
industry_relevance
3
Breakdown
moleculenet_core
17
adme_tox_extensions
10
protein
5
materials
4
misc
4
Notes
Excellent reproducibility — one-liner dataset loaders.
Hosted benchmarks (40)
Direct-linked — each links to the benchmark’s leaderboard / detail page on the host portal.
DeepChem dataset (40)
Delaney (ESOL)DeepChem datasetFreeSolvDeepChem datasetLipophilicityDeepChem datasetBACEDeepChem datasetBBBPDeepChem datasetClinToxDeepChem datasetHIVDeepChem datasetMUVDeepChem datasetPCBADeepChem datasetPDBbindDeepChem datasetQM7DeepChem datasetQM8DeepChem datasetQM9DeepChem datasetSIDERDeepChem datasetTox21DeepChem datasetToxCastDeepChem datasetChemblDeepChem datasetHOPVDeepChem datasetKAGGLEDeepChem datasetUSPTODeepChem datasetNCIDeepChem datasetHPPBDeepChem datasetSolubilityDeepChem datasetUVDeepChem datasetKinaseDeepChem datasetThermosolDeepChem datasetHydrationDeepChem datasetElectrolytesDeepChem datasetFactorsDeepChem datasetPlatinumDeepChem datasetPolymerNetDeepChem datasetMoleculeNet mirrorDeepChem datasetPPBDeepChem datasetPhosDeepChem datasetDILIDeepChem datasetAMESDeepChem datasetPKD1DeepChem datasetPKD2DeepChem datasetMDA-MB-231DeepChem datasetBeta-SecretaseDeepChem dataset