About
The RDKit Cheminformatics Toolkit skill empowers Claude to handle complex molecular analysis and manipulation tasks using the industry-standard RDKit library. It provides domain-specific expertise for parsing chemical formats like SMILES and SDF, calculating key molecular descriptors (MW, LogP, TPSA), and performing sophisticated substructure searches using SMARTS patterns. Ideal for drug discovery and computational chemistry, this skill offers fine-grained control over molecular sanitization, fingerprint generation for similarity analysis, and optimized 2D/3D coordinate generation for visualization and modeling.
