Molecular Property Prediction on MOLTOX21
0.7895ROC-AUCGraph-ViT + GFSA
Evaluation Results
| Method | Links | |
|---|---|---|
| Graph-ViT + GFSAGFSA=true2023.12 | 0.7895 | |
| Graph-ViTGFSA=false2023.12 | 0.7851 | |
| PRiSMBackbone=GatedGCN2026.05 | 0.783 | |
| OAPBackbone=GatedGCN2026.05 | 0.783 | |
| DSS-GNN (EGO+)2024.04 | 0.7795 | |
| MAPBackbone=GatedGCN2026.05 | 0.777 | |
| GRANOLA-MSBackbone=GIN2024.04 | 0.7732 | |
| GRANOLABackbone=GIN2024.04 | 0.7719 | |
| SignNetBackbone=GatedGCN2026.05 | 0.769 | |
| DS-GNN (EGO+)2024.04 | 0.7639 | |
| MAPBackbone=PNA2026.05 | 0.763 | |
| DS-GNN (NM)2024.04 | 0.7625 | |
| PRiSMBackbone=PNA2026.05 | 0.762 | |
| OAPBackbone=PNA2026.05 | 0.761 | |
| GRANOLA-NO-RNFBackbone=GIN2024.04 | 0.7587 | |
| GCN2024.04 | 0.7529 | |
| RECONSTR. GNN2024.04 | 0.7515 | |
| GINNormalization=BatchNorm, Encoding=RNF-PE2024.04 | 0.7514 | |
| GINNormalization=RNF-NORM2024.04 | 0.7512 | |
| GINNormalization=SuperNorm2024.04 | 0.7508 | |
| GINNormalization=LayerNorm-graph2024.04 | 0.7503 | |
| GINNormalization=MeanSubtractionNorm2024.04 | 0.7498 | |
| GIN2024.04 | 0.7491 | |
| GINNormalization=BatchNorm2024.04 | 0.7491 | |
| GINNormalization=LayerNorm-node2024.04 | 0.7481 | |
| GINNormalization=DiffGroupNorm2024.04 | 0.7448 | |
| SignNetBackbone=PNA2026.05 | 0.744 | |
| GINNormalization=GraphSizeNorm2024.04 | 0.7407 | |
| GINNormalization=InstanceNorm2024.04 | 0.7382 | |
| GINNormalization=GraphNorm2024.04 | 0.7354 | |
| GINNormalization=Identity2024.04 | 0.7334 | |
| GINNormalization=PairNorm2024.04 | 0.7327 | |
| GINNormalization=NodeNorm2024.04 | 0.7327 |