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Benchmarks
Structure to Energy and Forces on Open Catalyst Project S2EF OC20 (test)
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0.2701
Energy MAE (eV)
GemNet-XL
-0.980732
7.462384
15.9055
24.348616
Mar 18, 2022
Energy MAE (eV)
Force MAE (eV/A)
Force Cosine Similarity
EFwT Error
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE (eV)
Force MAE (eV/A)
Force Cosine Similarity
EFwT Error
GemNet-XL
#Params=300M, Training...
2022.03
0.2701
0.0204
0.6603
1.81
GemNet-T
#Params=31M, Training...
2022.03
0.2924
0.0242
0.6162
1.2
SpinConv
#Params=8.9M, Training...
2022.03
0.3363
0.0297
0.5391
0.45
ForceNet-Large
#Params=34.8M, Trainin...
2022.03
2.2628
0.0312
0.5195
0.01
DimeNet++-Large
#Params=10.8M, Trainin...
2022.03
31.5409
0.0313
0.544
0
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