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Interatomic Potential Prediction on MD22 DHA (test)
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0.068
Energy MAE
ViSNet-LSRM
0.03084
0.28167
0.5325
0.78333
May 23, 2024
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
ViSNet-LSRM
2024.05
0.068
2.59
ICTPsym
2024.05
0.08
2.62
Allegro
2024.05
0.089
3.17
TorchMD-Net
2024.05
0.093
5.24
MACE
2024.05
0.102
2.8
Equiformer
2024.05
0.138
2.19
SO3krates
2024.05
0.293
10.49
sGDML
2024.05
0.997
32.52
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