deepchem
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Also installable via skills CLI
npx skills add pur3v4d3r/pur3-pkb-codebase/.claude/skills/__scientific-skills/deepchem
Source
Path:
.claude/skills/__scientific-skills/deepchem/SKILL.md(main)