crystal_mcp_server
Verified Safeby Indranil2020
Overview
Generating and manipulating crystal structures for materials science research, including DFT, quantum chemistry, and condensed matter physics calculations, with support for MLFF-driven optimization and search.
Installation
npm startSecurity Notes
The server uses a Node.js wrapper to execute Python scripts via `python-shell` and temporary JSON files for inter-process communication. Input validation is performed using Zod in TypeScript, which is crucial for preventing malformed data from reaching the Python backend. No direct `eval` or obvious network-exposed attack surfaces are present, as it operates over `stdio` transport. The primary risk lies in potential vulnerabilities within the Python scripts themselves or unintended interpretation of structured input as executable code, though current Python scripts appear to parse JSON for function arguments, a relatively safe approach. Temporary file handling for JSON input/output in `/tmp` requires proper permissions.
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