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Molecular Property Prediction on 3BPA Dihedral Slices v1 (test)
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7.8
Energy RMSE (meV)
MACE
7.184
11.342
15.5
19.658
Jun 15, 2022
Energy RMSE (meV)
Force RMSE (meV/Å)
Updated 1mo ago
Evaluation Results
Method
Method
Links
Energy RMSE (meV)
Force RMSE (meV/Å)
MACE
L (Equivariant Order)=...
2022.06
7.8
16.5
MACE
L (Equivariant Order)=...
2022.06
11.5
19.3
MACE
L (Equivariant Order)=...
2022.06
12.3
26.1
BOTNet
L (Equivariant Order)=...
2022.06
16.3
20
NequIP
L (Equivariant Order)=...
2022.06
23.2
35.1
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