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Benchmarks
Molecular Property Prediction on 3BPA 300 K v1 (test)
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3
Energy RMSE (meV)
MACE
2.94
3.345
3.75
4.155
Jun 15, 2022
Energy RMSE (meV)
Force RMSE (meV/Å)
Latency (ms)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy RMSE (meV)
Force RMSE (meV/Å)
Latency (ms)
MACE
L (Equivariant Order)=...
2022.06
3
8.8
24.3
NequIP
L (Equivariant Order)=...
2022.06
3.1
11.3
103.5
BOTNet
L (Equivariant Order)=...
2022.06
3.1
11
101.2
NequIP
L (Equivariant Order)=...
2022.06
3.3
10.8
-
MACE
L (Equivariant Order)=...
2022.06
3.4
10.3
17.5
Allegro
L (Equivariant Order)=...
2022.06
3.84
12.98
-
MACE
L (Equivariant Order)=...
2022.06
4.5
14.6
10.5
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