Equilibrium State Prediction on Molecule3D Random Split (test)
0.376D-MAEGDB
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| GDB2024.10 | 0.376 | 0.626 | 0.619 | |
| GTMGC2024.10 | 0.433 | 0.721 | 0.713 | |
| GPS2024.10 | 0.529 | 0.911 | 1.038 | |
| GATv22024.10 | 0.564 | 0.986 | 1.083 | |
| DeeperGCN-DAGNN2024.10 | 0.571 | 0.961 | — | |
| RDKit ETKDG2024.10 | 0.576 | 0.942 | 0.999 | |
| RDKit DG2024.10 | 0.582 | 0.932 | 1.055 | |
| GINE2024.10 | 0.592 | 1.018 | 1.116 |