rdkit
Modern RDKit workflows for cheminformatics, including molecular fingerprints, drawing, and property calculations. Use when working with molecules, SMILES, molecular fingerprints (Morgan, ECFP, RDKit, atom pairs, topological torsions), molecule visualization/drawing, substructure search, or chemical property calculations. This skill provides up-to-date syntax patterns as RDKit's API evolves.
Installation and usage
Modern RDKit workflows for cheminformatics, including molecular fingerprints, drawing, and property calculations. Use when working with molecules, SMILES, molecular fingerprints (Morgan, ECFP, RDKit, atom pairs, topological torsions), molecule visualization/drawing, substructure search, or chemical property calculations. This skill provides up-to-date syntax patterns as RDKit's API evolves.
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use rdkit