Molecular property prediction on RT
101.4RMSEGAT + FP
Evaluation results
| Method | Links | |
|---|---|---|
| GAT + FPCategory=Hybrid (GNN+FP)2026.02 | 101.4 | |
| GCN + FPCategory=Hybrid (GNN+FP)2026.02 | 102.74 | |
| GraphSAGE + FPCategory=Hybrid (GNN+FP)2026.02 | 103.59 | |
| GIN + FPCategory=Hybrid (GNN+FP)2026.02 | 103.75 | |
| XGBoostCategory=ML Models2026.02 | 103.92 | |
| Random ForestCategory=ML Models2026.02 | 114.76 | |
| GATCategory=GNN Models2026.02 | 130.47 | |
| GINCategory=GNN Models2026.02 | 137.92 | |
| SVMCategory=ML Models2026.02 | 141.03 | |
| GCNCategory=GNN Models2026.02 | 144.54 | |
| GraphSAGECategory=GNN Models2026.02 | 144.98 | |
| Linear RegressionCategory=ML Models2026.02 | 330.65 |