Materials MCP

Materials MCP Project

A Model Context Protocol (MCP) server designed to interact with materials databases through the OPTIMADE API, with a specific focus on Google DeepMind's GNoME (Graph Networks for Materials Exploration) dataset. This project serves as a bridge between the OPTIMADE API and materials science applications, enabling efficient access and manipulation of crystal structure data.

Overview

The Materials MCP Project implements a Model Context Protocol server that:

Interfaces with the OPTIMADE API to access materials databases
Provides specialized access to the GNoME dataset, which contains millions of predicted stable crystal structures
Enables efficient querying and retrieval of crystal structures and their properties
Supports standardized data exchange formats for materials science applications

Features

OPTIMADE API integration for standardized materials database access
GNoME dataset integration for accessing predicted stable crystal structures
RESTful API endpoints for crystal structure queries
Support for common materials science data formats
Efficient data caching and retrieval mechanisms
Standardized query language support

Setup

Ensure you have Python 3.10 or higher installed
Create a virtual environment:
python -m venv venv source venv/bin/activate # On Unix/macOS
Install dependencies using Poetry:
pip install poetry poetry install

Project Structure

materials_mcp/ - Main package directory
- api/ - OPTIMADE API integration
- gnome/ - GNoME dataset specific functionality
- models/ - Data models and schemas
- server/ - MCP server implementation
tests/ - Test directory
pyproject.toml - Project configuration and dependencies
README.md - This file

Dependencies

Python >=3.10
optimade >=1.2.4 - For OPTIMADE API integration
Additional dependencies will be added as needed for:
- FastAPI/Flask for the web server
- Database integration
- Data processing and analysis
- Testing and documentation

Usage

[Usage examples will be added as the project develops]

Contributing

[Contribution guidelines will be added]

License

[License information will be added]

Acknowledgments

Google DeepMind for the GNoME dataset
OPTIMADE consortium for the API specification
[Other acknowledgments to be added]

This server cannot be installed

security - not tested

license - not found

quality - not tested

How are these scores calculated?

remote-capable server

The server can be hosted and run remotely because it primarily relies on remote services or has no dependency on the local environment.

A Model Context Protocol server that provides access to materials databases through the OPTIMADE API, with focus on Google DeepMind's GNoME dataset containing millions of predicted crystal structures.

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