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Benchmarks
Molecular Property Prediction on 3BPA 1200 K v1 (test)
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29.8
Energy RMSE (meV)
MACE
29.2892
32.7371
36.185
39.6329
Jun 15, 2022
Energy RMSE (meV)
Force RMSE (meV/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy RMSE (meV)
Force RMSE (meV/Å)
MACE
L (Equivariant Order)=...
2022.06
29.8
62
MACE
L (Equivariant Order)=...
2022.06
31.7
67.8
MACE
L (Equivariant Order)=...
2022.06
37.1
81.6
NequIP
L (Equivariant Order)=...
2022.06
38.5
76.2
BOTNet
L (Equivariant Order)=...
2022.06
39.1
81.1
NequIP
L (Equivariant Order)=...
2022.06
40.8
86.4
Allegro
L (Equivariant Order)=...
2022.06
42.57
82.96
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