ChemistryAtlas Dataset
Therapeutics Data Commons
Bioactivity and drug discoverybenchmarkADMETtherapeutics
A curated platform of AI-ready datasets and benchmarks for therapeutic discovery and development.
- benchmarking
- ADMET
- drug discovery ML
Category: Bioactivity and drug discovery.
Citation: Huang et al., NeurIPS Datasets and Benchmarks 2021.