Model stringclasses 8
values | Checkpoints stringclasses 8
values | Paper stringclasses 7
values | Fraction of completed simulation (%) float64 11.4 100 | density_mae float64 5.34 35.3 | lattice_mae float64 1.81 26.4 | C11_mae float64 15.4 41.5 ⌀ | C12_mae float64 21.2 44.8 ⌀ | C13_mae float64 19.6 46.3 ⌀ | C44_mae float64 21.2 99.8 ⌀ | C66_mae float64 25.1 100 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|
CHGNet | https://github.com/CederGroupHub/chgnet/raw/refs/heads/main/chgnet/pretrained/0.3.0/chgnet_0.3.0_e29f68s314m37.pth.tar | https://www.nature.com/articles/s42256-023-00716-3 | 11.43 | 25.49 | 23.35 | null | null | null | null | null |
M3GNet | https://github.com/materialyzeai/m3gnet/blob/3a8b14dfd5964915abb1e9fd6268e60c2677bc81/pretrained/MP-2021.2.8-EFS/checkpoint | https://www.nature.com/articles/s43588-022-00349-3 | 14.29 | 35.26 | 26.35 | null | null | null | null | null |
MACE-MP-0 | https://huggingface.co/cyrusyc/mace-universal/resolve/0844fb9dead733594f25869f52099ba2fc6deb3b/pretrained/2023-12-10-mace-128-L0_energy_epoch-249.model?download=true | https://pubs.aip.org/aip/jcp/article/163/18/184110/3372267 | 95.71 | 5.63 | 1.96 | 22.7 | 27.2 | 27.3 | 32.5 | 31.2 |
SevenNet | https://github.com/MDIL-SNU/SevenNet/blob/dff008ac9c53d368b5bee30a27fa4bdfd73f19b2/sevenn/pretrained_potentials/SevenNet_0__11Jul2024/checkpoint_sevennet_0.pth | https://pubs.acs.org/doi/full/10.1021/acs.jctc.4c00190 | 95.71 | 5.55 | 2 | 22.5 | 28.6 | 29.3 | 40 | 40.4 |
MatterSim | https://github.com/microsoft/mattersim/blob/main/pretrained_models/mattersim-v1.0.0-1M.pth | https://arxiv.org/abs/2405.04967 | 100 | 7 | 2.15 | 16 | 21.2 | 21.4 | 29.9 | 27.1 |
Orb-v2 | https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v2-20241011.ckpt | https://arxiv.org/abs/2410.22570 | 100 | 6.13 | 2.04 | 41.5 | 44.8 | 46.3 | 99.8 | 100 |
MACE-OMat | https://github.com/ACEsuit/mace-mp/releases/download/mace_omat_0/mace-omat-0-medium.model | https://pubs.aip.org/aip/jcp/article/163/18/184110/3372267 | 100 | 6.89 | 2.33 | 15.4 | 22.1 | 19.6 | 21.2 | 25.1 |
UMA | https://huggingface.co/facebook/UMA/resolve/main/checkpoints/uma-s-1p1.pt?download=true | https://proceedings.neurips.cc/paper_files/paper/2025/hash/bbf23e81b0ad7637fe9a731d0b676ca6-Abstract-Conference.html | 100 | 5.34 | 1.81 | 20.5 | 22.6 | 19.9 | 26.3 | 34.2 |
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