Molecule Generation on QM9
0.401FCDModFlow
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| ModFlowBackbone=3D-EGNN, Junction Tree=true2022.10 | 0.401 | 0.939 | 0.624 | 0.889 | |
| ModFlowBackbone=2D-EGNN, Junction Tree=true2022.10 | 0.421 | 0.921 | 0.595 | 0.867 | |
| ModFlowBackbone=2D-EGNN2022.10 | 0.432 | 0.928 | 0.608 | 0.875 | |
| ModFlowBackbone=3D-EGNN2022.10 | 0.478 | 0.934 | 0.613 | 0.885 | |
| MoFlow2022.10 | 0.496 | 0.84 | 0.502 | 0.852 | |
| GVAE2022.10 | 0.513 | 0.821 | 0.582 | 0.822 | |
| GraphEBM2022.10 | 0.551 | 0.831 | 0.547 | 0.831 | |
| GraphDF2022.10 | 0.683 | 0.892 | 0.562 | 0.839 | |
| GraphAF2022.10 | 0.732 | 0.863 | 0.565 | 0.823 |