MoleculeDesk

Take control of your molecular AI.

MoleculeDesk is an open-source package manager and runtime for running molecular AI models locally. Install, run, and inspect supported models from one CLI.

$ claude plugin install moldesk ‑‑marketplace pooriyapfn/moldesk

Adds the MoleculeDesk skill. Claude installs the CLI and models when you ask. More

moldesk
Supported modelsBoltzOpenDDEProteinMPNNLigandMPNN
Coming soonDiffDock-LBindCraft2AlphaFoldColabFoldChai

Run models

Use supported molecular AI models without complex setup.

Inspect results

Open molecular structures and examine model outputs.

Stay in control

Keep visibility over your models, inputs, and runs.

Start with a real workflow

Check platform support, run a prediction, and inspect the files the CLI reports.