pytdc
Provides Therapeutics Data Commons workflows through PyTDC for registry discovery, dataset access, task-aware splits, evaluator metrics, benchmark groups, and bounded molecular-oracle scoring. Use when working with TDC therapeutic ML datasets or benchmarks.
- Version
- 1.4
- License
- MIT
- Compatibility
- Requires uv, CPython 3.11, PyTDC 1.1.15, and setuptools 80.9.0 for its legacy pkg_resources runtime import. Network access and disk space are needed for dataset, benchmark, and checkpoint downloads; optional oracles require their service or docking dependencies.
Pinned to revision 68105dd992f1, so it is the text this page describes rather than whatever the author pushed since.
Pre-approved tools experimental
Experimental field. Support varies between clients, so this list is what the author declared, not what your client will enforce.
- Read
- Write
- Edit
- Bash
Files
- skills/pytdc/SKILL.md
- skills/pytdc/SKILL_CN.md
- skills/pytdc/references/datasets.md
- skills/pytdc/references/oracles.md
- skills/pytdc/references/sources.md
- skills/pytdc/references/utilities.md
- skills/pytdc/scripts/_common.py
- skills/pytdc/scripts/benchmark_evaluation.py
- skills/pytdc/scripts/cache_audit.py
- skills/pytdc/scripts/discover_metadata.py
- skills/pytdc/scripts/load_and_split_data.py
- skills/pytdc/scripts/molecular_generation.py
Every link opens the file at its source, pinned to the revision this page describes.