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Benchmarks
Energy and Force Prediction on MD17 (test)
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5.3
Energy Error (meV)
Equiformer
4.872
7.761
10.65
13.539
Jun 23, 2022
Energy Error (meV)
Force Error (meV/A)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy Error (meV)
Force Error (meV/A)
Equiformer
Lmax=2
2022.06
5.3
7.2
Equiformer
Lmax=3
2022.06
5.3
6.6
TorchMD-NET
2022.06
5.3
11
NequIP
Lmax=3
2022.06
5.7
8
PaiNN
2022.06
6.9
14.7
DimeNet
2022.06
8.8
21.6
SchNet
2022.06
16
58.5
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