Molecular Conformation Generation on GEOM-QM9 delta = 0.5Å
90.08COV-R Mean (%)GO-Flow
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| GO-Flowsteps=502026.05 | 90.08 | 94.57 | 0.2086 | 0.1845 | 69.42 | 70.91 | 0.3587 | 0.3462 | |
| ET-Flowsteps=502026.05 | 89.51 | 94.26 | 0.213 | 0.1892 | 67.36 | 69.54 | 0.3701 | 0.3649 | |
| EBDsteps=502026.05 | 89.37 | 93.21 | 0.2374 | 0.1903 | 61.31 | 60.46 | 0.3622 | 0.3517 | |
| AvgFlowsteps=502026.05 | 88.77 | 91.42 | 0.2217 | 0.2049 | 68.56 | 69.47 | 0.3775 | 0.3688 | |
| ConfGF2026.05 | 88.49 | 94.31 | 0.2673 | 0.2685 | 46.43 | 43.41 | 0.5224 | 0.5124 | |
| RDKit2026.05 | 88.34 | 95.08 | 0.3544 | 0.2974 | 83.42 | 88.17 | 0.3747 | 0.3692 | |
| GeoDiffsteps=50002026.05 | 88.02 | 92.33 | 0.2199 | 0.2116 | 53.72 | 52.36 | 0.4362 | 0.4259 | |
| CGCF2026.05 | 78.05 | 82.48 | 0.4219 | 0.39 | 36.49 | 33.57 | 0.6615 | 0.6427 | |
| ConfVAE2026.05 | 77.84 | 88.2 | 0.4154 | 0.3739 | 38.02 | 34.67 | 0.6215 | 0.6091 | |
| GraphDG2026.05 | 73.33 | 84.21 | 0.4245 | 0.3973 | 43.9 | 35.33 | 0.5809 | 0.5823 | |
| GeoMol2026.05 | 71.26 | 72 | 0.3731 | 0.3731 | — | — | — | — | |
| MCFsteps=502026.05 | 66.18 | 70.85 | 0.7826 | 0.6493 | 40.95 | 46.19 | 0.573 | 0.5514 | |
| CVGAE2026.05 | 0.09 | 0 | 1.6713 | 1.6088 | — | — | — | — |