A FastMCP server for atomistic modeling workflows that enables building structures, running geometry optimization and molecular dynamics, and analyzing results with downloadable artifacts.
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process.env. You'll be asked to provide them before it can run.LOG_LEVELHOSTPORT— uvicorn mcp_atomictoolkit.http_app:app --host 0.0.0.0 --port $ARTIFACT_BASE_URLPUBLIC_BASE_URLJAX_PLUGINSJAX_SKIP_JAXLIB_PJRT_CUDA_PLUGINJAX_SKIP_JAXLIB_PJRT_ROCM_PLUGINJAX_PLATFORMSJAX_PLATFORM_NAMECUDA_VISIBLE_DEVICESJAX_CUDA_VISIBLE_DEVICES[](https://m8ven.ai/mcp/qfoldit-atomic-mcp-1ihxg3)