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Benchmarks
Interatomic Potential Prediction on MD22 AT-AT (test)
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0.056
Energy MAE
ViSNet-LSRM
0.03744
0.16272
0.288
0.41328
May 23, 2024
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
ViSNet-LSRM
2024.05
0.056
3.39
ICTPsym
2024.05
0.057
3.02
MACE
2024.05
0.079
4.3
TorchMD-Net
2024.05
0.081
8.83
Equiformer
2024.05
0.095
4.16
Allegro
2024.05
0.103
4.13
SO3krates
2024.05
0.129
9.37
sGDML
2024.05
0.52
29.92
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