Mdengine
MD workbench for agents: inspect/render trajectories, depth profiles, detached LAMMPS jobs.
- Transport
- Not stated
- Package
- —
- Registry id
- com.forcefieldsilicon/mdengine
No install snippet on purpose. A working MCP config is a command, its arguments and an environment block — the last two are where API keys live, so this catalogue never stores them and cannot publish them. Follow the link above for the authors' own instructions.
MDEngine is an agent-first molecular dynamics workbench that includes a Metal trajectory viewer for macOS, a command-line tool, an MCP server for AI agents, and a hosted GPU tier that works from any operating system. The macOS viewer runs on Apple silicon, requires macOS 14 or later, and can open XYZ, extended-XYZ, or LAMMPS dump files. The command-line interface and MCP server are available as a signed and notarized archive for macOS.
Hosted GPU runs are priced per job with a base fee plus per-step and per-atom-step costs, and also capped by a wall-limit rate. MDEngine offers a free local CPU runner on macOS, while the hosted GPU tier works from Windows, Linux, or any MCP client over HTTP with OAuth. The project is released under the Business Source License 1.1, with each version becoming MPL-2.0 four years after release.
The viewer, renderer, and free local CPU runner are currently macOS-only, while the hosted GPU tier is a plain HTTPS API that can be used from any operating system.
Summary drafted from the project's own website. Every sentence is backed by text on that page and was reviewed before publishing.