Optimade MCP

What is Optimade MCP Server?

Optimade MCP Server is a Model Context Protocol (MCP) tool designed to query Optimade-compatible material databases. It allows users to perform structured data queries across various Optimade databases, such as Materials Project, Materials Cloud, and COD.

How to use Optimade MCP Server?

To use Optimade MCP Server, it is recommended to install it via uv:

1. Install the tool: uv pip install optimade-mcp-server
2. Configure the tool in cline or any MCP-compatible launcher with the following JSON configuration:

{
  "mcpServers": {
    "optimade_mcp_server": {
      "disabled": false,
      "timeout": 60,
      "type": "stdio",
      "command": "uvx",
      "args": [
        "optimade-mcp-server"
      ]
    }
  }
}

Optional proxy support can be configured by creating a .env file in the project root with HTTP_PROXY and HTTPS_PROXY variables.

Key Features of Optimade MCP Server

• Custom or Preset OPTIMADE Filter Queries: Allows flexible querying of material databases.
• Configurable OPTIMADE Providers: Users can configure a list of OPTIMADE providers via config/optimade_config.json.
• Proxy Support: Supports HTTP and HTTPS proxies via a .env file.
• Easy Deployment: Can be easily deployed via uvx and cline.

Use Cases of Optimade MCP Server

• Material Science Research: Researchers can efficiently query and retrieve material data from various Optimade-compatible databases.
• Data Analysis: Facilitates structured data access for analysis of material properties and structures.
• Application Development: Developers can integrate this tool into applications requiring access to material science data.

FAQ about Optimade MCP Server

• What is Optimade? Optimade (Open Databases Integration for Materials Design) is a standard for sharing materials data.
• Can I use my own proxy? Yes, you can configure HTTP and HTTPS proxies using a .env file.
• Is it open source? Yes, the project is licensed under the MIT License.

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_mcp_server": {
      "disabled": false,
      "timeout": 60,
      "type": "stdio",
      "command": "uvx",
      "args": [
        "optimade-mcp-server"
      ]
    }
  }
}

🌐 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.