mcpbeat

Alterlab Rdkit

alterlab-ieu/alterlab-rdkit

Provides the RDKit cheminformatics toolkit for low-level, fine-grained molecular primitives — SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure/SMARTS search, 2D/3D coordinate generation, similarity, and reaction handling. Use when custom sanitization, specialized fingerprint or descriptor algorithms, reaction enumeration, or conformer generation demand direct API control; for a high-level pandas-friendly wrapper over RDKit prefer alterlab-datamol, and for turning molecules into ML feature vectors prefer alterlab-molfeat. Part of the AlterLab Academic Skills suite.

24k tokens
context cost
the whole folder, loaded on every use
9
files
ships runnable scripts
0
copies elsewhere
how many repositories repackaged it
56
stars on the repo
on the repository, not the skill itself

Install

one command, takes just this skill from the repository 
npx skills add https://github.com/AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-rdkit

How to use it

Copy the folder

Take alterlab-ieu/alterlab-rdkit from the repository into ~/.claude/skills for personal use, or into .claude/skills inside a project.

Check the name does not clash

The agent identifies a skill by the name field in its header. Two skills with the same name cannot sit side by side — one of them will be ignored.