Colabfit Mcp

Colabfit Mcp is a Model Context Protocol (MCP) server that enables AI agents to interact programmatically with the ColabFit materials science database. Through this server, users can search and download scientific datasets, train MACE interatomic potential models locally (with GPU acceleration if available), and run energy/forces calculations and validation via OpenKIM test drivers. It integrates with local compute resources (via Docker or Python) and MCP-compatible AI clients like Claude, Cursor, or OpenAI/MCP API-based agents, making it ideal for materials scientists, research software engineers, and AI-powered scientific assistants seeking automation and reproducibility in computational materials workflows.