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HOMO-LUMO gap prediction on Molecule3D (scaffold)
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0.1182
MAE
SphereNet
0.113444
0.145547
0.17765
0.209753
Jun 17, 2022
MAE
Updated 7d ago
Evaluation Results
Method
Method
Links
MAE
SphereNet
Train Time=182min, Inf...
2022.06
0.1182
DimeNet++
Train Time=133min, Inf...
2022.06
0.1214
ComENet
Train Time=22min, Infe...
2022.06
0.1273
SchNet
Train Time=14min, Infe...
2022.06
0.1511
GIN-Virtual
Train Time=15min, Infe...
2022.06
0.2371
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