Substructure-Conditioned Molecule Generation on QM9 (test)
86.2Tanimoto SimilarityCMOTIFLOW
Evaluation results
| Method | Links | |
|---|---|---|
| CMOTIFLOWSteps=1002026.01 | 86.2 | |
| CENDSteps=10002025.06 | 82.8 | |
| CENDSteps=10002026.01 | 82.8 | |
| CENDSteps=5002025.06 | 82.5 | |
| CENDSteps=5002026.01 | 82.5 | |
| CENDSteps=2502025.06 | 81.9 | |
| CENDSteps=1002025.06 | 80.7 | |
| CENDSteps=502025.06 | 78.3 | |
| EEGSDE+Steps=10002025.06 | 75 | |
| EEGSDESteps=10002026.01 | 75 | |
| CEDM*Steps=10002025.06 | 67.3 | |
| CEDM*Steps=10002026.01 | 67.3 | |
| CEDMSteps=10002025.06 | 67.1 | |
| CEDMSteps=10002026.01 | 67.1 | |
| CEDM*Steps=5002025.06 | 66.9 | |
| CEDM*Steps=5002026.01 | 66.9 | |
| CEDM*Steps=2502025.06 | 66.3 | |
| CEDM*Steps=1002025.06 | 64 | |
| CEDM*Steps=502025.06 | 60.1 |