Regression on QM7 High resolution
9.9MAELanczos
Evaluation Results
| Method | Links | |
|---|---|---|
| LanczosTraining Resolution=High, Inference Resolution=High2026.05 | 9.9 | |
| SpectralresTraining Resolution=Low, Inference Resolution=High2026.05 | 15.8 | |
| SpectralexpTraining Resolution=High, Inference Resolution=High2026.05 | 15.9 | |
| SpectralexpTraining Resolution=Low, Inference Resolution=High2026.05 | 16 | |
| GINTraining Resolution=High, Inference Resolution=High2026.05 | 17 | |
| SpectralresTraining Resolution=High, Inference Resolution=High2026.05 | 17.2 | |
| MPNNexpTraining Resolution=High, Inference Resolution=High2026.05 | 17.4 | |
| MPNNresTraining Resolution=Low, Inference Resolution=High2026.05 | 17.6 | |
| MPNNexpTraining Resolution=Low, Inference Resolution=High2026.05 | 17.9 | |
| MPNNresTraining Resolution=High, Inference Resolution=High2026.05 | 18 | |
| UFGNetTraining Resolution=High, Inference Resolution=High2026.05 | 62.4 | |
| GCNTraining Resolution=High, Inference Resolution=High2026.05 | 63.6 | |
| SAG-MTraining Resolution=High, Inference Resolution=High2026.05 | 66.6 | |
| ChebNetTraining Resolution=High, Inference Resolution=High2026.05 | 66.7 | |
| GATv2Training Resolution=High, Inference Resolution=High2026.05 | 67.4 | |
| SAGTraining Resolution=High, Inference Resolution=High2026.05 | 68.2 | |
| GCNTraining Resolution=Low, Inference Resolution=High2026.05 | 138.1 | |
| UFGNetTraining Resolution=Low, Inference Resolution=High2026.05 | 148.1 | |
| ChebNetTraining Resolution=Low, Inference Resolution=High2026.05 | 158.7 | |
| SAG-MTraining Resolution=Low, Inference Resolution=High2026.05 | 219.5 | |
| GATv2Training Resolution=Low, Inference Resolution=High2026.05 | 257.4 | |
| SAGTraining Resolution=Low, Inference Resolution=High2026.05 | 283.6 | |
| LanczosTraining Resolution=Low, Inference Resolution=High2026.05 | 658.6 | |
| GINTraining Resolution=Low, Inference Resolution=High2026.05 | 1,835.4 |