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SOTA HOMO-LUMO gap prediction benchmarks and papers with code | Wizwand
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HOMO-LUMO gap prediction
Benchmarks
Dataset Name
SOTA Method
Dataset Name
SOTA Method
Metric
Trend
Results
Last Updated
2D Materials Defect Dataset (10-fold splits)
MEGNet(Sparse)
MAE
5.7
42
7d ago
QM9 (5-fold cross-validation)
ANI-2x
R2 (Full)
0.804
5
18h ago
Molecule3D (scaffold)
SphereNet
MAE
0.1182
5
7d ago
Molecule3D (random)
SphereNet
MAE
0.0301
5
7d ago
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