Equilibrium State Prediction on Molecule3D Random Split (val)
0.374D-MAEGDB
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| GDB2024.10 | 0.374 | 0.631 | 0.622 | |
| GTMGC2024.10 | 0.432 | 0.719 | 0.712 | |
| DeeperGCN-DAGNN2024.10 | 0.509 | 0.849 | — | |
| GPS2024.10 | 0.528 | 0.909 | 1.036 | |
| GATv22024.10 | 0.563 | 0.983 | 1.082 | |
| RDKit ETKDG2024.10 | 0.575 | 0.941 | 0.998 | |
| RDKit DG2024.10 | 0.581 | 0.93 | 1.054 | |
| GINE2024.10 | 0.59 | 1.014 | 1.116 |