Nearby Molecular Sampling on ZINC250k and GEOM-DRUG (random 800 source molecules)
96.2Success RateCOATI-LDM
Evaluation Results
| Method | Links | |
|---|---|---|
| COATI-LDMNumber of Calls=50000, Sampling Steps=10002025.05 | 96.2 | |
| DMDGNumber of Calls=50000, Sampling Steps=182025.05 | 94.37 | |
| DMIDGNumber of Calls=50000, Sampling Steps=182025.05 | 94.37 | |
| DPSNumber of Calls=50000, Sampling Steps=182025.05 | 94.25 | |
| QMONumber of Calls=500002025.05 | 92.4 | |
| COATI-LDMNumber of Calls=1000, Sampling Steps=10002025.05 | 84.44 | |
| DMDGNumber of Calls=1000, Sampling Steps=182025.05 | 79.87 | |
| DESMILESNumber of Calls=500002025.05 | 77.2 | |
| DMDGNumber of Calls=500, Sampling Steps=182025.05 | 75.62 | |
| DMIDGNumber of Calls=1000, Sampling Steps=182025.05 | 74.87 | |
| DPSNumber of Calls=1000, Sampling Steps=182025.05 | 74.25 | |
| DMIDGNumber of Calls=500, Sampling Steps=182025.05 | 65.37 | |
| DPSNumber of Calls=500, Sampling Steps=182025.05 | 65.37 | |
| DMDGNumber of Calls=100, Sampling Steps=182025.05 | 57.12 | |
| COATI-LDMNumber of Calls=500, Sampling Steps=10002025.05 | 45.27 | |
| DMIDGNumber of Calls=100, Sampling Steps=182025.05 | 44.25 | |
| DPSNumber of Calls=100, Sampling Steps=182025.05 | 43.75 | |
| DMDGNumber of Calls=25, Sampling Steps=182025.05 | 37.5 | |
| DMIDGNumber of Calls=25, Sampling Steps=182025.05 | 36.12 | |
| DPSNumber of Calls=25, Sampling Steps=182025.05 | 32.75 | |
| COATI-LDMNumber of Calls=100, Sampling Steps=10002025.05 | 4.91 | |
| COATI-LDMNumber of Calls=25, Sampling Steps=10002025.05 | 0.62 |