optimade-mcp-server 0.1.0

A MCP-compatible OPTIMADE server with configurable filters and endpoints.

OPTIMADE MCP SERVER

A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases, fully configurable custom filter presets and provider endpoints.

🎯 Overview

This tool enables structured data queries across multiple OPTIMADE databases (e.g., Materials Project, Materials Cloud, COD), via MCP protocol. Key capabilities include:

1.Custom or preset OPTIMADE filter queries

2.Configurable list of OPTIMADE providers via config/optimade_config.json

3.Proxy support via .env file

4.Easily deployable via uvx, cline

⚙️ Installation & Usage

✅ Recommended via uv

1.Install the tool:

uv pip install optimade-mcp-server

2.In cline or any MCP-compatible launcher, configure the tool as follows:

{
  "mcpServers": {
    "optimade": {
      "command": "uv",
      "args": ["--directory", "optimade-mcp-server", "run", "optimade"]
    }
  }
}

🌐 Proxy Support (Optional)

If you need to use a VPN or proxy, create a .env file in the project root:

HTTP_PROXY=http://127.0.0.1:<your-port>
HTTPS_PROXY=http://127.0.0.1:<your-port>

If you don't need a proxy, you can comment out or remove the proxy setup in the source code.

🪪 License

This project is licensed under the MIT License. See LICENSE for details.