关于
This skill integrates the industry-standard RDKit library into the Claude Code environment, enabling autonomous execution of advanced cheminformatics workflows. It offers fine-grained control over molecular data, including SMILES/SDF parsing, Lipinski descriptor calculations, fingerprinting for similarity searching, and SMARTS-based substructure matching. Designed for drug discovery and computational chemistry, it allows Claude to handle complex tasks like 3D coordinate generation, conformer optimization, and chemical reaction modeling with scientific precision.
