openmm-mcp-server

OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communication interface for task submission, management, and execution.

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PythonPrimary Language

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GitHub Topics

分子動力学シミュレーションPython自動化計算化学研究支援科学計算データ解析高性能計算API