tandemai-inc/rdkit-mcp-server
MCP server that enables language models to interact with RDKit through natural language
This project helps chemistry researchers and cheminformatics specialists leverage the powerful RDKit library using natural language, rather than writing code. You can input requests like "find the molecular weight of benzene" or "generate a 3D conformation for aspirin," and it will provide the calculated results. It's designed for anyone who needs quick access to RDKit's molecular computations without programming expertise.
Use this if you are a chemist or cheminformatician who wants to interact with RDKit's functionalities using plain English through a language model, without writing any Python code.
Not ideal if you are a software developer looking to programmatically integrate RDKit into an existing application or build complex, custom workflows.
Stars
36
Forks
6
Language
Python
License
MIT
Category
Last pushed
Feb 09, 2026
Commits (30d)
0
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Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
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