Garden's Almanac of Matter Models MACE-OMol-0
July 2025
| Checkpoint | Params | Polaris | Sophia | Perlmutter | Delta | Frontier | Della |
|---|---|---|---|---|---|---|---|
| mace-omol-0-extra-large | — | — | — | — | — | ● | |
| mace:custom | — | — | — | — | — | — |
● verified, last 30 days ○ installed, not recently verified — not installed
No cluster has installed any checkpoint of this model yet.
Running this model
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, "polaris", "perlmutter"
10 checkpoint="mace-omol-0-extra-large",
11 device="cuda",
12) as calc:
13 # model is now running in subprocess on compute node
14 atoms.calc = calc
15 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.
Couldn't load the current environments from Rootstock.
References
— no references catalogued yet —