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Energy and force prediction on QM7-X known molecules unknown conformations full
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10.62
Energy MAE
SPOOKYNET
9.01092
19.87221
30.7335
41.59479
May 28, 2022
Energy MAE
Force MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy MAE
Force MAE
SPOOKYNET
2022.05
10.62
14.851
SO3KRATES
Feature dimension (F)=264
2022.05
15.228
18.446
PAINN
2022.05
15.691
20.301
SO3KRATES
Non-local correction=true
2022.05
16.176
19.879
SO3KRATES
Feature dimension (F)=132
2022.05
16.815
20.422
SCHNET
2022.05
50.847
53.695
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