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Molecular Property Prediction on MOLHIV

80.94ROC-AUCCIN
68.293671.576874.8678.1432Dec 7, 2023May 4, 2024Oct 1, 2024Feb 27, 2025Jul 27, 2025Dec 23, 2025May 22, 2026

Evaluation results

MethodLinks
CIN2024.0480.94
RFP-QR-L, A, Slearn-DSS2024.0480.58
GSN2024.0480.39
SUN (GIN) (EGO+)2024.0480.03
GNN-AK+2024.0479.61
GNN-SSWL+2024.0479.58
GRANOLABackbone=GIN2024.0478.98
GRANOLA-MSBackbone=GIN2024.0478.84
RWPE2024.0478.62
NGNN2024.0478.34
Graph-ViT + GFSAGFSA=true2023.1278.3
GINNormalization=GraphNorm2024.0478.08
Graph-ViTGFSA=false2023.1277.92
RFP - l2 - L, A2024.0477.91
GINEncoding=Laplacian PE2024.0477.88
GINNormalization=RNF-NORM2024.0477.61
DS-GNN (EGO+)2024.0477.4
GRANOLA-NO-RNFBackbone=GIN2024.0477.09
GINNormalization=InstanceNorm2024.0476.88
DSS-GNN (EGO+)2024.0476.78
GINNormalization=SuperNorm2024.0476.55
DS-GNN (NM)2024.0476.54
GINNormalization=MeanSubtractionNorm2024.0476.37
RECONSTR. GNN2024.0476.32
GINNormalization=PairNorm2024.0476.18
GINNormalization=LayerNorm-graph2024.0476.13
GCN2024.0476.06
GINNormalization=BatchNorm, Encoding=RNF-PE2024.0475.98
GIN2024.0475.58
GINNormalization=BatchNorm2024.0475.58
GINNormalization=NodeNorm2024.0475.5
GINNormalization=GraphSizeNorm2024.0475.44
GINNormalization=LayerNorm-node2024.0475.24
GINNormalization=DiffGroupNorm2024.0474.37
PRiSMBackbone=Transformer2026.0574.3
MAPBackbone=Transformer2026.0572.21
GINNormalization=Identity2024.0471.89
LPEBackbone=Transformer2026.0568.91
OAPBackbone=Transformer2026.0568.78