How do I install the mcp server?

Use a recorded configuration for your client, replace example credential values and paths, and verify the documented runtime. Restart or reconnect the client, then inspect the available tools.

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MCP Server — s20ss/mcp_rdkit

A package for RDKit integration with MCP

Local serverstdioPython

What is the MCP Server?

A package for RDKit integration with MCP

The short version

The mcp_rdkit project integrates the RDKit library with the MCP (Model Context Protocol) framework to provide advanced chemical informatics tools. It includes functionalities for molecular visualization, descriptor calculation, and interaction with an MCP server.

Molecular Visualization — Generate images of molecules using RDKit
Descriptor Calculation — Compute molecular descriptors such as molecular weight, logP, and more
MCP Server Integration — Communicate with an MCP server for advanced chemical informatics tasks

What it needs from you

Python 3.8 or higher - RDKit library - MCP framework

More MCP options

Compare MCP servers by category, or browse hosted MCP servers if you prefer an endpoint over a local process.

Maintainer setup documentation.

How to install the MCP Server

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

Add to claude_desktop_config.json, then restart Claude Desktop.

Configuration

Python 3.8 or higher - RDKit library - MCP framework

Frequently asked questions

A package for RDKit integration with MCP Confirm the tools offered by your installed version in the connected client. Tool availability and permissions depend on the server and account configuration.

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