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
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
View source ↗GuidesSkill instructions
Features and purpose
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.
Quick start
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
Guides ↗Examples
Read the usage examples in the source repository.
View source ↗Source history
- Indexed on
- 2026-01-20
- Index updated
- 2026-01-26
- Branch
- main
Index and sync dates describe this directory. View the source repository for code history.
GitHub ↗chat Comments (0)
Sign in to join the discussion and leave a comment.
No comments yet. Be the first to share your thoughts!