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A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases.

Created 3 months ago

A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases.

development documentation public

What is A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases.?

This tool enables structured data queries across multiple OPTIMADE databases (e.g., Materials Project, Materials Cloud, COD), via MCP protocol. Key capabilities include custom or preset OPTIMADE filter queries, configurable list of OPTIMADE providers via config/optimade_config.json, proxy support via .env file, and easy deployment via uvx, cline.

Documentation

OPTIMADE MCP SERVER

A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases, fully configurable custom filter presets and provider endpoints.\n\n# 🎯 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\n\n# ⚙️ Installation & Usage\n\n## ✅ 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_mcp_server": {
      "disabled": false,
      "timeout": 60,
      "type": "stdio",
      "command": "uvx",
      "args": [
        "optimade-mcp-server"
      ]
    }
  }
}
~~~~~~\n\n# 🌐 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: HTTPS_PROXY=http://127.0.0.1:

If you don't need a proxy, you can comment out or remove the proxy setup in the source code.\n\n# 🪪 License
This project is licensed under the MIT License. See LICENSE for details.

Server Config

{
  "mcpServers": {
    "a-model-context-protocol-(mcp)-tool-for-querying-optimade-compatible-material-databases.-server": {
      "command": "npx",
      "args": [
        "a-model-context-protocol-(mcp)-tool-for-querying-optimade-compatible-material-databases."
      ]
    }
  }
}

Links & Status

Repository: github.com
Hosted: No
Global: No
Official: No

Project Info

Hosted Featured
Created At: Aug 08, 2025
Updated At: Aug 08, 2025
Author: dianfengxiaobo
Category: MCP Tool
License: MIT License
Tags:
development documentation public