MoleculeNet
Benchmark suite covering quantum, physical, biophysical, physiological molecular ML tasks.
Kind
meta-platform
Composite
78.0
Benchmarks tracked
17
Direct-linked
17
As of
2026-05-12
Host organisation
DeepChem community (Pande Lab alumni)
Primary contacts
Bharath Ramsundar, Vijay Pande
Founded
2018-03
License model
MIT
Official site
GitHub
Count methodology
Wu et al. 2018 Chem Sci + DeepChem repo enumeration: QM7/QM7b/QM8/QM9, ESOL, FreeSolv, Lipophilicity, PCBA, MUV, HIV, BACE, BBBP, Tox21, ToxCast, SIDER, ClinTox, PDBbind (17).
Rubric
rigor
4
coverage
4
maintenance
2
adoption
5
quality
3
accessibility
5
industry_relevance
4
Breakdown
quantum
4
physical_chem
3
biophysics
4
physiology
6
Notes
Historically foundational; many splits have documented leakage. Community has largely moved to TDC / Polaris for new work.
Hosted benchmarks (17)
Direct-linked — each links to the benchmark’s leaderboard / detail page on the host portal.