Garden's Almanac of Matter Models | Checkpoint | Params | Polaris | Sophia | Perlmutter | Delta | Frontier | Della |
|---|---|---|---|---|---|---|---|
| uma-s-1p1 | 150M | ○ | ● | ● | ● | ● | ● |
| uma-s-1p2 | 290M | — | — | ● | ● | ● | ● |
| uma-m-1p1 | 1.4B | — | ● | ● | ○ | ● | ● |
| uma:custom | — | — | — | — | — | — |
● verified, last 30 days ○ installed, not recently verified — not installed
No cluster has installed any checkpoint of this model yet.
Running this model
This model has task heads. You can select which output layer is active at inference time with
setup_kwargs={"task": "omat"}.
| Task head | Trained against |
|---|---|
| omat default | OMat24 — inorganic crystals |
| omol | OMol25 — molecules |
| oc20 | OC20 — surfaces/interfaces |
| odac | ODAC23 — surfaces/interfaces (MOF frameworks + adsorbates) |
| omc | OMC25 — molecular crystals |
1# from a job or interactive session on a supported cluster:
2from rootstock import RootstockCalculator
3
4# this model accepts charge and spin
5atoms.info["charge"] = -1
6atoms.info["spin"] = 2
7
8with RootstockCalculator(
9 cluster=YOUR_CLUSTER_ID, # eg, "sophia", "perlmutter"
10 checkpoint="uma-s-1p1",
11 device="cuda",
12 setup_kwargs={"task": "omol"}, # select a head
13) as calc:
14 # model is now running in subprocess on compute node
15 atoms.calc = calc
16 atoms.get_potential_energy()
Environments
Rootstock runs each model family inside an isolated Python environment defined by a single file. This environment file includes the specific dependencies needed, plus a setup() function that loads the model and returns an ASE calculator. These files are usually almost identical for a given model family, but because of cluster-specific quirks (eg, an old CUDA driver) the dependencies and setup code can vary a bit.
uma_env.py
1# /// script
2# requires-python = ">=3.10,<3.11"
3# dependencies = [
4# "torch>=2.4.0",
5# "fairchem-core>=2.0.0",
6# "ase>=3.22",
7# "torch-geometric",
8# ]
9#
10# [tool.uv]
11# find-links = ["https://data.pyg.org/whl/torch-2.4.0+cu121.html"]
12# ///
13"""UMA env — hosts Meta's UMA foundation model via FAIRChem."""
14
15CHECKPOINTS = {
16 "uma-s-1p1": "uma-s-1p1",
17}
18
19
20def setup(checkpoint: str, device: str = "cuda", task: str = "omat"):
21 from fairchem.core import FAIRChemCalculator, pretrained_mlip
22
23 predictor = pretrained_mlip.get_predict_unit(CHECKPOINTS[checkpoint], device=device)
24 return FAIRChemCalculator(predictor, task_name=task)
25
Built on Polaris: 2026-05-12
Couldn't load the current environments from Rootstock.