概要
The RDKit skill integrates the industry-standard cheminformatics library into Claude's environment, enabling advanced molecular manipulation and analysis. It allows users to parse and write various chemical formats like SMILES, SDF, and InChI, calculate critical physicochemical descriptors such as LogP and TPSA, and perform complex substructure searches using SMARTS patterns. Designed for researchers and developers in drug discovery and computational chemistry, it also facilitates 3D coordinate generation, conformer optimization, and chemical reaction simulation, streamlining the transition from raw data to actionable scientific insights.
