rdkit
Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.
70
Quality
86%
Does it follow best practices?
Run evals on this skill
Adds up to 20 points to the overall score
View guide
Securityby
Low
Low-risk findings worth noting
Loading evals
- Repository
- K-Dense-AI/scientific-agent-skills
- Commit
9e8b0cb
Is this your skill?
If you maintain this skill, you can claim it as your own. Once claimed, you can manage eval scenarios, bundle related skills, attach documentation or rules, and ensure cross-agent compatibility.