datamol

github:K-Dense-AI/claude-scientific-skills · first seen 2026-10-31 · source · badge

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.

Skill Health 90 (freshness and quality) estimated by backskills

Listed, not yet scored. This skill has no public model test yet. It is in the scoring queue; submitted skills go first, then the most-installed.

Freshness 100 · Quality 80 · Efficacy not yet tested

Version history

2026-10-31T09:00:37+00:00 · sha256 3a0d725456f3