tandemai-inc/rdkit-mcp-server
MCP server that enables language models to interact with RDKit through natural language
Exposes the complete RDKit 2025.3.1 API surface as MCP tools, enabling LLMs to programmatically access chemistry functions without code generation. Implements stdio transport compatible with any MCP-supporting language model, paired with an OpenAI-powered CLI client for rapid prototyping. Includes pydantic-based evaluation framework with LLMJudge validation to assess agent correctness on chemistry tasks.
Stars
36
Forks
6
Language
Python
License
MIT
Category
Last pushed
Feb 09, 2026
Commits (30d)
0
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