Catalysis Hub MCP Server

Example Use Cases

• 1

  Fetch catalytic reaction data (equations, catalysts, temperatures) to support automated literature review or hypothesis generation.

• 2

  Retrieve material systems, structures, and computed properties (energies, CIF data) for simulation setup or materials screening.

• 3

  Run complex or parameterized GraphQL queries (including batching and fragments) against Catalysis Hub and ingest the results into downstream workflows.

Description

This server implements the Model Context Protocol (MCP) to enable AI agents to execute arbitrary GraphQL queries against the Catalysis Hub API. It provides direct access to catalytic reactions, material systems, surface reaction data, and related publications, with support for parameterized queries and variables. The implementation includes async HTTP transport, robust error handling, and response metadata to assist integration and debugging. It's useful for integrating catalysis data into automated workflows, analysis pipelines, or agent-driven research assistants.