Get started
MolAgent is in alpha. Early-access users receive the installation package and the documentation, and we help with the first installation. This is what the setup involves.
Setup
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Request access
Write to us with the systems you study, the codes you use and the machines you compute on. We reply with the installation package and the documentation.
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Install the daemon
On the machine where your calculations run: a cluster login node, a workstation or a server. It installs and runs under your user account, without administrator rights.
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Pair your browser
The daemon prints a pairing link and a QR code. Open the link to connect the workspace, directly or through the relay.
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Connect a model
Add a provider account with an API key or a subscription sign-in, or point MolAgent to an open-weight model on your own server.
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Check the machine
The readiness check lists the codes it finds and the procedures that can run on that machine.
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Start a study
Open a project folder and describe the objective. The agent proposes a plan, asks for your choices and prepares the first calculations.
Requirements
Nothing has to be installed system-wide, and project files stay where they are.
| Machine | Linux or macOS: a cluster login node, a workstation or a server |
|---|---|
| Runtime | Node.js 22.19 or later, in your user account |
| Scheduler | SLURM, PBS or LSF on clusters; none needed on a workstation |
| Simulation codes | The codes you use, as environment modules, containers or installed programs, with your own licences |
| Network | Outbound HTTPS to the model provider and, if used, to the relay |
| Model | A provider account, or an open-weight model on your own server |
| Browser | A current version of Chrome, Edge, Firefox or Safari, with WebGL for the 3D viewer |
Documentation
The installation guide, the configuration reference and the documentation of the procedures are provided to early-access users.
The open-source components have their own public documentation:
- Workspace: daemon, relay and browser application, source on GitHub
- Mol Viewer: @molviewer/core on npm
- pi: the agent runtime, pi.dev
Early access
MolAgent is in alpha. We are installing it with a small number of research groups now; a private beta opens in 2027. Write to us with the systems you study, the codes you use and the machines you compute on.
Or write to contact@molagent.ai.