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Benchmarks
Interatomic Potential Prediction on MD22 Buckyball catcher (test)
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0.112
Energy MAE
SO3krates
0.10276
0.16513
0.2275
0.28987
May 23, 2024
Energy MAE
Force MAE
Updated 1mo ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
SO3krates
2024.05
0.112
10.28
Equiformer
2024.05
0.117
4.83
ICTPsym
2024.05
0.123
3.58
ViSNet-LSRM
2024.05
0.124
4.45
MACE
2024.05
0.141
3.7
TorchMD-Net
2024.05
0.152
14.39
Allegro
2024.05
0.154
3.85
sGDML
2024.05
0.343
29.49
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