Molecule Generation on GEOM-DRUGS
87.2AEND
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| ENDSteps=1002025.06 | 87.2 | 87 | 73.7 | — | — | — | |
| ENDSteps=502025.06 | 87.1 | 84.6 | 66 | — | — | — | |
| ENDSteps=2502025.06 | 87.1 | 88.5 | 77.4 | — | — | — | |
| ENDSteps=5002025.06 | 87 | 88.8 | 78.6 | — | — | — | |
| ENDSteps=10002025.06 | 87 | 89.2 | 79.4 | — | — | — | |
| Data2025.06 | 86.5 | 99 | 99 | — | — | — | |
| GEOBFNSteps=10002025.06 | 85.6 | 92.1 | — | — | — | — | |
| EDM*Steps=2502025.06 | 85.4 | 94.2 | 61.4 | — | — | — | |
| EDM*Steps=5002025.06 | 85.4 | 94.3 | 63.4 | — | — | — | |
| EDM*Steps=10002025.06 | 85.3 | 94.4 | 64.2 | — | — | — | |
| EDM*Steps=1002025.06 | 85.2 | 93.8 | 56.2 | — | — | — | |
| EDM*Steps=502025.06 | 84.7 | 93.6 | 46.6 | — | — | — | |
| GEOLDMSteps=10002025.06 | 84.4 | 99.3 | 45.8 | — | — | — | |
| EDM-BRIDGESteps=10002025.06 | 82.4 | 92.8 | — | — | — | — | |
| GEOBFNSteps=5002025.06 | 81.4 | 93.5 | — | — | — | — | |
| EDMSteps=10002025.06 | 81.3 | 92.6 | — | — | — | — | |
| GEOBFNSteps=1002025.06 | 78.9 | 93.1 | — | — | — | — | |
| GEOBFNSteps=502025.06 | 75.1 | 91.7 | — | — | — | — | |
| EQGAT-diffPost-processing (PP)=No2026.03 | — | — | — | 59.7 | 59.7 | 59.5 | |
| EQGAT-diffPost-processing (PP)=Yes2026.03 | — | — | — | 84.2 | 84.2 | 84 | |
| FlowMolPost-processing (PP)=No2026.03 | — | — | — | 59.8 | 59.8 | 59.7 | |
| FlowMolPost-processing (PP)=Yes2026.03 | — | — | — | 84.2 | 84.2 | 84.1 | |
| GCDMPost-processing (PP)=No2026.03 | — | — | — | 0.2 | 0.2 | 0.2 | |
| GCDMPost-processing (PP)=Yes2026.03 | — | — | — | 95.2 | 95.2 | 95.2 | |
| GeoLDMPost-processing (PP)=No2026.03 | — | — | — | 2.9 | 2.9 | 2.9 | |
| GeoLDMPost-processing (PP)=Yes2026.03 | — | — | — | 69.6 | 69.3 | 69.3 | |
| HLTFPost-processing (PP)=No2026.03 | — | — | — | 85.5 | 85.4 | 85 | |
| HLTFPost-processing (PP)=Yes2026.03 | — | — | — | 92.2 | 92 | 91.2 | |
| SemlaFlowPost-processing (PP)=No2026.03 | — | — | — | 87.5 | 87.4 | 87 | |
| SemlaFlowPost-processing (PP)=Yes2026.03 | — | — | — | 93.1 | 92.9 | 92.4 |