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Benchmarks
Energy and Force Prediction on Revised MD17 Naphthalene (test)
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0.9
Energy
NequIP
0.172
0.361
0.55
0.739
Jun 10, 2023
Energy
Force
Updated 3mo ago
Evaluation Results
Method
Method
Links
Energy
Force
NequIP
2023.06
0.9
1.3
MACE
2023.06
0.5
1.6
TensorNet
Layers=1L, Parameters=...
2023.06
0.3
1.9
TensorNet
Layers=2L, Parameters=...
2023.06
0.2
1.6
Allegro
2023.06
0.2
0.9
BOTNet
2023.06
0.2
1.8
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