crystal_mcp_server
Verified Safeby Indranil2020
Overview
Provides a backend API for crystal structure generation, analysis, and optimization, integrating Machine Learning Force Fields (MLFFs) and enabling natural language interaction through Large Language Models (LLMs).
Installation
cd crystal-gui-web/bridge && python server.pyEnvironment Variables
- PYTHON_PATH
- PYTHON
Security Notes
The architecture utilizes a complex multi-language subprocess model (Node.js invoking Python scripts via a Python FastAPI bridge). Extensive input validation (Zod in TypeScript, Pydantic in Python) is implemented to mitigate common injection risks by strictly controlling tool arguments. Data passed to Python subprocesses uses temporary files, which is a robust practice against command injection. CORS is restricted to localhost, appropriate for a local desktop application. While reliance on external CDNs for frontend libraries (MolStar, Kekule.js) is present and common, it introduces a dependency on their security. Overall, the codebase demonstrates good defensive programming practices, but the inherent complexity of orchestrating multiple processes and languages means minor, though mitigated, risks exist.
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