rdkit-tools-mcp
Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.
- Score
- Unranked
- Evidence
- No signals yet
- Last commit
- as last read from GitHub; most reads are from 2 Sep 2026 or later
- Listed
Install
No one-command install. Set it up from its source.
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What it is
Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.
When to use it
Provides in-process RDKit cheminformatics operations — descriptors, fingerprints, similarity and substructure search, reaction enumeration, standardization, and 3D conformer generation — for AI agents.
How to install / invoke
See Glama for the install config.
Notes
Listed from the Glama MCP registry.