3D Molecular Generative Modeling on QM9
100All Atoms ConnectedG-SphereNet
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| G-SphereNetBond assignment algorithm=xyz2mol2023.11 | 100 | 97.59 | 72.99 | 99.85 | 95.99 | 36.07 | 98.07 | |
| SymphonyBond assignment algorithm=xyz2mol2023.11 | 99.92 | 99.56 | 98.72 | 100 | 99.07 | 95.65 | 98.16 | |
| EDMBond assignment algorithm=xyz2mol2023.11 | 99.88 | 99.98 | 100 | 100 | 98.58 | 94.88 | 99.79 | |
| G-SchNetBond assignment algorithm=xyz2mol2023.11 | 99.87 | 99.88 | 99.93 | 99.95 | 97.96 | 95.04 | 99.57 |