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Benchmarks
Interatomic Potential Prediction on MD22 AT-AT-CG-CG (test)
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0.042
Energy MAE
ViSNet-LSRM
0.02288
0.15194
0.281
0.41006
May 23, 2024
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
ViSNet-LSRM
2024.05
0.042
4.61
ICTPsym
2024.05
0.045
3.37
Equiformer
2024.05
0.055
5.43
MACE
2024.05
0.058
5
TorchMD-Net
2024.05
0.076
14.13
SO3krates
2024.05
0.127
14.4
Allegro
2024.05
0.145
5.55
sGDML
2024.05
0.52
30.36
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