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Energy and Force Prediction on rMD17 Aspirin (test)
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2.2
Energy
MACE
2.18
2.315
2.45
2.585
Jun 10, 2023
Energy
Force
Updated 3mo ago
Evaluation Results
Method
Method
Links
Energy
Force
MACE
2023.06
2.2
6.6
NequIP
2023.06
2.3
8.2
Allegro
2023.06
2.3
7.3
BOTNet
2023.06
2.3
8.5
TensorNet
Layers=2L, Parameters=...
2023.06
2.4
8.9
TensorNet
Layers=1L, Parameters=...
2023.06
2.7
10.2
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