Catalysis Hub

Catalysis Hub

MCP server interface to Catalysis Hub's GraphQL API for programmatic data access.

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Overview

The Catalysis Hub MCP Server provides a Model Context Protocol interface to Catalysis Hub's GraphQL API, enabling programmatic access to catalysis research data through flexible GraphQL queries. It exposes comprehensive data domains including catalytic reactions (equations, conditions, catalysts), material systems (structures, properties, descriptors), research publications (titles, DOIs, authors), and surface reaction data (adsorption energies, binding sites). The server is MCP standard–compliant, designed for AI-agent interoperability, and supports parameterized queries with variables for dynamic querying. It emphasizes robust error handling and clear diagnostics for connectivity and query failures. Implementation relies on the httpx asynchronous HTTP client and uses standard MCP transport over standard input/output. Server configuration mirrors claude_desktop_config.json to facilitate seamless integration within Claude-based environments. Setup involves cloning the repository, installing dependencies, and verifying installation with a version check that prints catalysishub-mcp-server 0.1.0. Usage examples demonstrate how to issue GraphQL queries via the MCP client, including parameterized queries that fetch systems, reactions, and related data. The repository also provides guidance on query optimization and troubleshooting to help users build efficient queries against the Catalysis Hub database.

Details

Owner
QuentinCody
Language
Python
License
Other
Updated
2025-12-07

Features

Direct GraphQL Access

Execute any valid GraphQL query against Catalysis Hub's API.

Comprehensive Data Access

Access catalytic reactions (equations, conditions, catalysts), material systems (structures, properties, descriptors), publications (titles, DOIs, authors), and surface data (adsorption energies, binding sites).

MCP Standard Compliance

Implements the Model Context Protocol for AI-agent interoperability.

Flexible Query Support

Supports parameterized queries with variables and complex query structures.

Robust Error Handling

Provides detailed diagnostics and error reporting for API connectivity and query execution.

Tags

Catalysis HubGraphQLMCPCatalysis dataReactionsMaterialsPublicationsSurface dataAPIAI-agent interoperability