rdkit-mcp-server

tandemai-inc/rdkit-mcp-server

★ 39 stars Python 🤖 AI/LLM Updated today

MCP server that enables language models to interact with RDKit through natural language

Quick Install

Copy the config for your editor. Some servers may need additional setup — check the README.

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "rdkit-mcp-server": {
      "command": "uvx",
      "args": [
        "rdkit-mcp-server"
      ]
    }
  }
}

Or install with pip: pip install rdkit-mcp-server

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