Runs anywhere you can SSH
Workstations, GPU nodes and cluster login nodes. A small runtime installs itself in your home directory. No root, nothing cluster-wide.
What is verlet
verlet is an AI-assisted workbench for molecular dynamics: a desktop app where you write, run and understand simulations. The editor knows the engine’s manual, an agent drafts inputs from a description, every input is checked with the executable that will run it, and runs go on your own computer or on any Linux machine you can reach over SSH, watched live. Every run remembers the exact input, machine and executable it used.
LAMMPS is the engine supported today. The concepts below are not tied to it; more engines are planned.
What it does
Section titled “What it does”Builds the engine for you
Describe packages, compiler and MPI in a few lines of YAML. verlet installs Spack in your home and builds as many executables as you need.
Knows the manual as you type
Completion for commands, styles and keywords, with their meaning. Hover for the syntax, F1 for the page. Styles your executable lacks are marked.
Drafts inputs from a description
An agent looks up the manual, tutorials and examples, writes the input, and repairs it until the engine accepts it.
Versions everything
Each saved input is a version, checked before it is kept. Each run belongs to one version.
Watches runs live
Thermo, speed, time left and resource use update while the run goes. Outputs download in one click.
Profiles every rank
On Linux, verlet-probe samples each MPI rank with eBPF and merges them into one flame graph.
The parts
Section titled “The parts”You install one program, the app. It brings the rest.
| Part | Where it runs | What it does |
|---|---|---|
| verlet app | your computer | The window you work in. |
| verlet-agent | your computer, inside the app | Keeps your history, runs local jobs, talks to remote machines, runs the agent. |
| verletrc | each remote machine, in ~/.verlet | Starts and watches runs there, builds the engine when asked. |
| verlet-probe | Linux machines, optional | Samples running processes for profiles. |
The parts of verlet has the details.
Where to go next
Section titled “Where to go next”Getting startedInstall, connect a machine, run your first simulation.
Your first simulationA worked example, start to finish.
Run on a remote machineAdd a workstation or a cluster login node over SSH.
Try the demoThe real app with sample data, in your browser.