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MCP server · Files

MDEngine

by · github.com/forcefieldsilicon/mdengine

MD workbench for agents: inspect/render trajectories, depth profiles, detached LAMMPS jobs.

Unclaimed files
InstallView source
34Low

Scored a month ago · breakdown

About MDEngine

MDEngine is an MCP server published by forcefieldsilicon in the Files category: mD workbench for agents: inspect/render trajectories, depth profiles, detached LAMMPS jobs.

Recent commit activity is the strongest signal that reported issues will get attention.

Install

From source
git clone https://github.com/forcefieldsilicon/mdengine

This server has no ConduID identity, so agent calls to it are not receipted. Pin the version you install and review the source before granting it credentials.

Tools (11)

decimateKeep every Nth frame (final frame always kept)

Parameters not published.

export_frameOne frame → XYZ; `charges: true` → extended-XYZ with the q column

Parameters not published.

fetch_jobPull a remote job's run directory (dumps, data) + logs into the local job dir under `results/`

Parameters not published.

job_filesLocate a finished job's outputs (run dir + bookkeeping dir)

Parameters not published.

list_hostsExecution hosts from `~/.mdengine/hosts.json` and which is the default

Parameters not published.

render_imageOne frame → PNG with the same camera/style options — lets an agent *see* a simulation state

Parameters not published.

render_videoTrajectory → MP4 (H.264) or animated GIF via the Metal renderer: camera angles, stride, cinematic orbit, baked scale-bar/frame annotations, per-element `colors`/`sizes`, `style: "contrast"` auto-visibility

Parameters not published.

run_lammpsSynchronous run for short tests only

Parameters not published.

submit_lammpsDetached LAMMPS job: survives the server exiting and machine display-sleep (`caffeinate`), exit code recorded unattended

Parameters not published.

trajectory_infoFrames, atom counts, per-atom fields, elements, bbox, charge range

Parameters not published.

z_profileDeposition/oxidation depth analysis: substrate surface plane, probe penetration depths (min/mean/max), at-surface & in-flight counts, bound-probe charge, z histogram

Parameters not published.

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Questions

About MDEngine

How do I install MDEngine?

No package has been published for this server, so install it from source: clone the repository and follow its README.

Is MDEngine safe to use with an AI agent?

Its trust score is 34 out of 100 (low). Conduid hasn't run static security checks on this repository yet, so review the source yourself before granting it credentials. It has no ConduID identity yet, so agent calls to it are not receipted.

Is MDEngine still maintained?

Yes — the last commit was 17 days ago. The repository has 0 stars and 0 forks.