ChemistryAtlas Dataset

Therapeutics Data Commons

Bioactivity and drug discoverybenchmarkADMETtherapeutics

A curated platform of AI-ready datasets and benchmarks for therapeutic discovery and development.

Category: Bioactivity and drug discovery.

Citation: Huang et al., NeurIPS Datasets and Benchmarks 2021.

TypeDataset
DomainBioactivity and drug discovery
LicenseMIT license for code; dataset-specific
ContributorsTDC team