Optimade MCP
Created 4 months ago
A Model Context Protocol (MCP) tool for querying Optimade-compatible material databases.
What is Optimade MCP?
An MCP server conducts real-time material science data queries with the Optimade database (for example, elemental composition, crystal structure).
Documentation
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:
- Custom or preset OPTIMADE filter queries
- Configurable list of OPTIMADE providers via config/optimade_config.json
- Proxy support via .env file
- Easily deployable via uvx, cline
Installation & Usage# Recommended via uv
- Install the tool:
uv pip install optimade-mcp-server
- 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:
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.
Server Config
{
"mcpServers": {
"optimade-mcp-server": {
"command": "npx",
"args": [
"optimade-mcp"
]
}
}
}