mcpbeat

Datamol Cheminformatics

biotender-max/datamol-cheminformatics

>- Pythonic RDKit wrapper with sensible defaults for drug discovery. SMILES parsing, standardization, descriptors, fingerprints, similarity, clustering, diversity selection, scaffold analysis, BRICS/RECAP fragmentation, 3D conformers, and visualization. Returns native rdkit.Chem.Mol. Prefer datamol for standard workflows; use RDKit directly for advanced control.

4k tokens
context cost
the whole folder, loaded on every use
1
files
instructions only
1
copies elsewhere
how many repositories repackaged it
132
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/BioTender-max/awesome-bio-agent-skills --skill datamol-cheminformatics

Repackaged in 1 other repositories

same content, different owner
jaechang-hits/SciAgent-Skills open on GitHub →

How to use it

Copy the folder

Take biotender-max/datamol-cheminformatics 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.

Install what it needs

The instructions reference pip, uv. Without those the skill loads but fails at the first command.