Vapor Pressure Prediction on A20/E17 (scaffold-split)
0.208MSESafe-MT
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| Safe-MTArchitecture=PNA, Task Strategy=VP+OP, lambda=10^-32026.01 | 0.208 | 0.341 | 0.904 | 8,450 | |
| PNA + A20/E17Architecture=PNA, Task Strategy=ST-VP2026.01 | 0.21 | 0.343 | 0.901 | 8,520 | |
| GINE + A20/E17Architecture=GINE, Task Strategy=ST-VP2026.01 | 0.223 | 0.355 | 0.887 | 8,900 | |
| Baseline: FP+MLPArchitecture=FP+MLP2026.01 | 0.263 | 0.382 | 0.862 | 10,200 |