3D Molecular Generation on GEOM (test)
1,000Trajectory Length (Steps)GDM-AUG
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GDM-AUGTraj. Len. (Steps)=10002025.07 | 1,000 | 77.7 | 91.8 | — | |
| GraphLDMTraj. Len. (Steps)=10002025.07 | 1,000 | 76.2 | 97.2 | — | |
| EDMTraj. Len. (Steps)=10002025.07 | 1,000 | 81.3 | 92.6 | 10.9 | |
| GeoLDMTraj. Len. (Steps)=10002025.07 | 1,000 | 84.4 | 99.3 | 10.2 | |
| GeoLDM + GAGABackbone=GeoLDM, GAGA application=true, Traj. Len. (Steps)=8002025.07 | 800 | — | — | 7.9 | |
| EDM + GAGABackbone=EDM, GAGA application=true, Traj. Len. (Steps)=6502025.07 | 650 | — | — | 6.4 | |
| Data2025.07 | — | 86.5 | 99.9 | — |