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Energy and Force Prediction on rMD17 Azobenzene (test)
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0.7
Energy (E)
TensorNet
0.68
0.815
0.95
1.085
Jun 10, 2023
Energy (E)
Force (F)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy (E)
Force (F)
TensorNet
Layers=2L, Parameters=...
2023.06
0.7
3.1
NequIP
2023.06
0.7
2.9
BOTNet
2023.06
0.7
3.3
TensorNet
Layers=1L, Parameters=...
2023.06
0.9
3.8
Allegro
2023.06
1.2
2.6
MACE
2023.06
1.2
3
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