🐍 - Unofficial access to the Catalysis Hub database: search and retrieve computational catalysis research and…
Catalysis Hub MCP Server
以下摘录自该仓库的 README(片段) · 在 GitHub 读完整 README →
A Model Context Protocol (MCP) server interface to Catalysis Hub's GraphQL API, enabling programmatic access to catalysis research data through flexible GraphQL queries.
Key Features
- **Direct GraphQL Access**: Execute any valid GraphQL query against Catalysis Hub's API
- **Comprehensive Data Access**:
- Catalytic reactions (equations, conditions, catalysts)
- Material systems (structures, properties, descriptors)
- Research publications (titles, DOIs, authors)
- Surface reaction data (adsorption energies, binding sites)
- **MCP Standard Compliance**: Implements the Model Context Protocol for AI-agent interoperability
- **Flexible Query Support**: Execute complex queries with variables parameterization
- **Error Handling**: Robust error reporting for API connectivity and query execution
License and Citation
This project is available under the MIT License with an Academic Citation Requirement. This means you can freely use, modify, and distribute the code, but any academic or scientific publication that uses this software must provide appropriate attribution.
For academic/research use:
If you use this software in a research project that leads to a publication, presentation, or report, you **must** cite this work according to the format provided in CITATION.md.
For commercial/non-academic use:
Commercial and non-academic use follows the standard MIT License terms without the citation requirement.
By using this software, you agree to these terms. See LICENSE.md for the complete license text.
Implementation Details
- **Server Configuration** (matches claude_desktop_config.json):
- **Core Dependency**: httpx for asynchronous HTTP requests
- **Transport**: Standard input/output communication following MCP specifications
Setup & Installation
1. **Clone the repository**:
2. **Install dependencies**:
3. **Verify installation**:
Usage Examples
Basic Query Execution
Parameterized Query with Variables
Query Optimization Tips
1. **Use GraphQL Fragments**:
2. **Batch Related Queries**:
Response Structure
Successful responses follow this structure:
Error responses include detailed diagnostics:
Troubleshooting
**Common Issues**:
- HTTP Request Error: Verify network connectivity to api.catalysis-hub.org