Wraps the RASPA2 molecular simulation engine into MCP tools, enabling AI agents to autonomously design, validate, execute, and interpret molecular simulations for porous materials.
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process.env. You'll be asked to provide them before it can run.RASPA_MCP_WORKSPACE_BASE— All write operations are sandboxed underRASPA_DIR— Writes and PATH exports to your shell RC file automaticallySHELL[](https://m8ven.ai/mcp/lichman0405-raspa-mcp-zrc0hl)