HOMO-LUMO gap prediction on Molecule3D (scaffold)
0.1182MAESphereNet
Evaluation results
| Method | Links | |
|---|---|---|
| SphereNetTrain Time=182min, Inference Time=28min2022.06 | 0.1182 | |
| DimeNet++Train Time=133min, Inference Time=16min2022.06 | 0.1214 | |
| ComENetTrain Time=22min, Inference Time=3min2022.06 | 0.1273 | |
| SchNetTrain Time=14min, Inference Time=3min2022.06 | 0.1511 | |
| GIN-VirtualTrain Time=15min, Inference Time=2min2022.06 | 0.2371 |