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Energy and Force Prediction on Revised MD17 Toluene (test)
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0.3
Energy
TensorNet
0.292
0.346
0.4
0.454
Jun 10, 2023
Energy
Force
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy
Force
TensorNet
Layers=1L, Parameters=...
2023.06
0.3
2
TensorNet
Layers=2L, Parameters=...
2023.06
0.3
1.7
NequIP
2023.06
0.3
1.6
Allegro
2023.06
0.4
1.8
BOTNet
2023.06
0.4
1.9
MACE
2023.06
0.5
1.5
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