pytdc
Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.
Details
- Path
- skills/pytdc
- License
- MIT license
- Bundled scripts
- 3
- Dependencies
- 2
Bundled scripts
- skills/pytdc/scripts/benchmark_evaluation.py
- skills/pytdc/scripts/molecular_generation.py
- skills/pytdc/scripts/load_and_split_data.py