A standalone [Model Context Protocol (MCP)](https://modelcontextprotocol.io/) server with general-purpose tools **and** an LLM-agent toolset for **Molecular Dynamics**, inspired by: - **[MDCrow](https://github.com/ur-whitelab/MDCrow)** (arXiv:2502.09565) — 40+ expert-designed tools for automating MD workflows with chain-of-thought LLM agents