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Energy and Force Prediction on rMD17 Malonaldehyde (test)
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0.6
Energy Error
Allegro
0.592
0.646
0.7
0.754
Jun 10, 2023
Energy Error
Force Error
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy Error
Force Error
Allegro
2023.06
0.6
3.6
TensorNet
Layers=1L, Parameters=...
2023.06
0.8
5.8
TensorNet
Layers=2L, Parameters=...
2023.06
0.8
5.4
NequIP
2023.06
0.8
5.1
BOTNet
2023.06
0.8
5.8
MACE
2023.06
0.8
4.1
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