Molecular Generation on QM9 (train test)
99.5UniquenessModFlow
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| ModFlowArchitecture=2D-EGNN, Post-hoc validity corrections=false2022.10 | 99.5 | — | 100 | 100 | |
| ModFlowArchitecture=JT-3D-EGNN, Post-hoc validity corrections=false2022.10 | 99.3 | — | 100 | 100 | |
| GraphNVPPost-hoc validity corrections=false2022.10 | 99.2 | 83.1 | 58.2 | 100 | |
| ModFlowArchitecture=JT-2D-EGNN, Post-hoc validity corrections=false2022.10 | 99.2 | — | 100 | 100 | |
| ModFlowArchitecture=3D-EGNN, Post-hoc validity corrections=false2022.10 | 99.1 | — | 100 | 100 | |
| MoFlowPost-hoc validity corrections=false2022.10 | 98.5 | 89 | 96.4 | 100 | |
| GraphDFPost-hoc validity corrections=false2022.10 | 97.6 | 82.7 | 98.1 | 100 | |
| GraphAFPost-hoc validity corrections=false2022.10 | 94.2 | 67 | 88.8 | 100 | |
| GRFPost-hoc validity corrections=false2022.10 | 66 | 84.5 | 58.6 | 100 | |
| GVAEPost-hoc validity corrections=false2022.10 | 9.3 | 60.2 | 80.9 | 96 |