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MACE

ACEsuit
restricted / Overall score: 3.0

MACE is ACEsuit's equivariant message-passing framework for machine-learning interatomic potentials, shipping a full data-preprocessing, training, and fine-tuning pipeline alongside a series of pretrained foundation models covering 89 elements. The foundation checkpoints span inorganic materials, organic molecules, electrostatics, and cross-domain models, and are released under different licences from the code.

The repository is MIT, but the checkpoints are not — the newer foundation models ship under the Academic Software Licence, and the README says as much. Verified 2026-09-10 via the GitHub API, the repository README and LICENSE body, and the ASL text.

Openness

2 high confidence
2.0
weights
open(ungated foundation checkpoints published as GitHub release assets)
data
open(MPTrj, sAlex, OMat, MATPES, and OMol training datasets publicly released)
code
open(full data preprocessing, distributed training, and fine-tuning pipeline)
license
MIT(code and the MACE-MP-0a, MACE-MP-0b3, and MACE-MPA-0 checkpoints)+ASL(MACE-OMAT-0, MACE-MATPES-PBE-0, MACE-MATPES-r2SCAN-0, MACE-OMOL-0, MACE-OFF23, and MACE-MH-0/1 checkpoints

MACE is otherwise the most complete release in this cohort: open corpus, open pretraining pipeline, open weights. The multi-SKU rule resolves it on the most restrictive licence among the checkpoints actually distributed, and the newer foundation models ship under the Academic Software Licence, which says of itself that it is not an open-source licence because it does not allow commercial use. Publishing the corpus does not buy that permission back, so the score caps at restricted.

Adoption

3 high confidence
3.0

Re-banded off stars. mace-torch is a declared artifact, and sources/signal_routing.yaml sets the precedence pypi > huggingface > stars, so an authoritative usage route exists and the record may not fall through to a star count. 113,484 downloads in the trailing 30 days puts it at level 3, one above the 1,345 stars it used to carry. Four first-party Hugging Face repositories also exist under mace-foundations and all report zero downloads, so the Hub route is present but empty; PyPI outranks it either way.

Capability

3 high confidence
3.0

Two attributes. Most of the family is one checkpoint per domain, and small, medium and large are sizes rather than scales - but MACE-MH is a single distributed checkpoint whose card claims "unified cross-domain capability spanning inorganic crystals, molecular systems, surface chemistry, and reactive organic chemistry with a single model" over heads for OMAT PBE, OMOL, OC20, SPICE, RGD1, MPTraj and MatPES. That is the same fact pattern the category credits UMA for, so it is credited here too.

  • https://raw.githubusercontent.com/ACEsuit/mace/main/README.md recorded 2026-09-10

    Documents finetuning a foundation model with mace_run_train --foundation_model, states the pretrained models can be used directly for inference or as a starting point for fine-tuning, and describes outputs as energies, forces and stresses.

Verified 2026-09-10