Molecular property prediction on MOLESOL
0.847RMSEDS-GNN (NM)
Evaluation Results
| Method | Links | |
|---|---|---|
| DS-GNN (NM)2024.04 | 0.847 | |
| GRANOLABackbone=GIN2024.04 | 0.96 | |
| GIN + GRANOLABackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=true2024.04 | 0.96 | |
| GRANOLA-MSBackbone=GIN2024.04 | 0.971 | |
| RECONSTR. GNN2024.04 | 1.026 | |
| GINNormalization=SuperNorm2024.04 | 1.037 | |
| GIN + SuperNormBackbone=GIN, Normalization=SuperNorm2024.04 | 1.037 | |
| GINNormalization=RNF-NORM2024.04 | 1.039 | |
| GIN + RNF-NORMBackbone=GIN, Normalization=RNF-NORM2024.04 | 1.039 | |
| GINNormalization=GraphNorm2024.04 | 1.044 | |
| GIN + GraphNormBackbone=GIN, Normalization=GraphNorm2024.04 | 1.044 | |
| GINNormalization=BatchNorm, Encoding=RNF-PE2024.04 | 1.052 | |
| GIN + BatchNorm + RNF-PEBackbone=GIN, Normalization=BatchNorm, Positional Encoding=RNF-PE2024.04 | 1.052 | |
| GINNormalization=LayerNorm-node2024.04 | 1.058 | |
| GIN + LayerNorm-nodeBackbone=GIN, Normalization=LayerNorm-node2024.04 | 1.058 | |
| GINNormalization=LayerNorm-graph2024.04 | 1.061 | |
| GIN + LayerNorm-graphBackbone=GIN, Normalization=LayerNorm-graph2024.04 | 1.061 | |
| GINNormalization=MeanSubtractionNorm2024.04 | 1.062 | |
| GIN + MeanSubtractionNormBackbone=GIN, Normalization=MeanSubtractionNorm2024.04 | 1.062 | |
| GINNormalization=NodeNorm2024.04 | 1.068 | |
| GIN + NodeNormBackbone=GIN, Normalization=NodeNorm2024.04 | 1.068 | |
| GINNormalization=PairNorm2024.04 | 1.084 | |
| GIN + PairNormBackbone=GIN, Normalization=PairNorm2024.04 | 1.084 | |
| GINNormalization=DiffGroupNorm2024.04 | 1.087 | |
| GIN + DiffGroupNormBackbone=GIN, Normalization=DiffGroupNorm2024.04 | 1.087 | |
| GRANOLA-NO-RNFBackbone=GIN2024.04 | 1.088 | |
| GIN + GRANOLA-NO-RNFBackbone=GIN, Normalization=GRANOLA, RNF-Adaptive=false2024.04 | 1.088 | |
| GINNormalization=InstanceNorm2024.04 | 1.099 | |
| GIN + InstanceNormBackbone=GIN, Normalization=InstanceNorm2024.04 | 1.099 | |
| GCN2024.04 | 1.114 | |
| GINNormalization=GraphSizeNorm2024.04 | 1.121 | |
| GIN + GraphSizeNormBackbone=GIN, Normalization=GraphSizeNorm2024.04 | 1.121 | |
| GINNormalization=Identity2024.04 | 1.164 | |
| GIN + IdentityBackbone=GIN, Normalization=None2024.04 | 1.164 | |
| GIN2024.04 | 1.173 | |
| GINNormalization=BatchNorm2024.04 | 1.173 | |
| GIN + BatchNormBackbone=GIN, Normalization=BatchNorm2024.04 | 1.173 |