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Benchmarks
Interatomic Potential Prediction on MD22 Double-walled nanotube (test)
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0.116
Energy MAE
SO3krates
0.10192
0.19696
0.292
0.38704
May 23, 2024
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
SO3krates
2024.05
0.116
31.53
Equiformer
2024.05
0.14
11.91
TorchMD-Net
2024.05
0.173
43.5
MACE
2024.05
0.194
12
ViSNet-LSRM
2024.05
0.214
14.71
Allegro
2024.05
0.259
14.87
ICTPsym
2024.05
0.352
12.64
sGDML
2024.05
0.468
22.55
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