Software Development

RDKit

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Publisher / source

davila7/claude-code-templates (found on skills.sh)

Upstream record

davila7/claude-code-templates

Version

Version 3

Published

2026-11-02

Publication review

Approved for publication

Content fingerprint

cf451fd778f2baaf2e7afe9415a08ce4ea2293e1bc7d6c196a8b985fcfaeef22