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Benchmarks
Interatomic Potential Prediction on MD22 Ac-Ala3-NHMe (test)
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0.064
Energy MAE
MACE
0.05044
0.14197
0.2335
0.32503
May 23, 2024
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
MACE
2024.05
0.064
3.8
ICTPsym
Relative energy weight...
2024.05
0.068
3.28
ViSNet-LSRM
2024.05
0.068
3.91
Equiformer
2024.05
0.085
3.49
Allegro
2024.05
0.105
4.63
TorchMD-Net
2024.05
0.116
8.15
SO3krates
2024.05
0.348
10.58
sGDML
2024.05
0.403
34.26
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