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.
انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:
skills use rdkit