MDEngine is an open-source molecular dynamics workbench for macOS. It provides a command-line interface for LAMMPS, an MCP server for agent-driven workflows, and a live-following Metal trajectory viewer for simulation analysis.
In the CLI tools & terminal space, MDEngine takes a focused approach. Running, monitoring, and inspecting molecular dynamics simulations on macOS. MDEngine is an open-source project aimed at molecular dynamics researchers and computational scientists. MDEngine is open source under the Open Source license. It runs on the web, the command line, and macOS, and it can be self-hosted.
forcefieldsilicon builds and maintains MDEngine. Among its 5 catalogued features are MCP server, LAMMPS CLI, and metal trajectory viewer. It exposes integrations via an MCP server.
Summary written by a language model from the project’s public pages.
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