Equilibrium state prediction on Molecule3D Scaffold Split (test)
0.341D-MAEGDB
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| GDB2024.10 | 0.341 | 0.608 | 0.603 | |
| GTMGC2024.10 | 0.4 | 0.679 | 0.693 | |
| RDKit ETKDG2024.10 | 0.511 | 0.859 | 0.898 | |
| RDKit DG2024.10 | 0.524 | 0.857 | 0.973 | |
| GPS2024.10 | 0.657 | 1.091 | 1.136 | |
| DeeperGCN-DAGNN2024.10 | 0.763 | 1.176 | — | |
| GATv22024.10 | 1.238 | 2.069 | 1.752 | |
| GINE2024.10 | 1.4 | 2.224 | 1.96 |