3D Molecule Generation on QM9 (Ring Distribution and Structural Descriptors)
99.9P (0 rings)GODD
Evaluation results
| Method | Links | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GODD2024.04 | 99.9 | 99.8 | 99.1 | 97.6 | 92.5 | 89.7 | 78.7 | 88.2 | 82.1 | 83.1 | 54 | 77.9 | 70.3 | 40.5 | |
| LinkerNet2024.04 | 99.8 | 99.6 | 88.8 | 87.2 | 83.2 | 73.7 | 66.1 | 64.7 | 59.2 | 76 | 51.6 | 72.2 | 54.4 | 37 | |
| DiffLinker2024.04 | 99.7 | 99.9 | 99 | 91.4 | 84.7 | 75.6 | 74.6 | 63.2 | 59.4 | 78.8 | 53.7 | 70.3 | 48.4 | 26.4 | |
| C-EDMConditioning on ring counts=true2024.04 | 98.9 | 94.2 | 80.8 | 64.4 | 12.6 | 26.8 | 0.3 | 0.1 | 0 | 41.3 | 33.9 | 38 | 27.3 | 24.1 | |
| EEGSDE2024.04 | 98.4 | 92.2 | 77.6 | 58.2 | 14.1 | 17.6 | 0.3 | 0 | 0 | 39.1 | 31.1 | 35.7 | 27.2 | 24.2 | |
| C-GeoLDMConditioning on ring counts=true2024.04 | 97.1 | 89.4 | 74.2 | 52.4 | 22.3 | 22.7 | 0.9 | 0.2 | 0 | 39.1 | 31.5 | 35.7 | 28.3 | 25 | |
| CGD2024.04 | 82.3 | 84.8 | 86.2 | 83.6 | 34.4 | 22.4 | 10.3 | 10.1 | 0 | 45.5 | 40 | 43.2 | 28.4 | 26.2 | |
| MOOD2024.04 | 80.7 | 87.1 | 86.1 | 73.3 | 34.1 | 32.3 | 10.3 | 0.2 | 0 | 44.3 | 39 | 42.1 | 27.7 | 25.5 | |
| EquiFM2024.04 | 12.1 | 44.1 | 29.8 | 11.8 | 1.7 | 0.5 | 0 | 0 | 0 | 11 | 9.7 | 10.4 | 6.8 | 6.3 | |
| GeoLDM2024.04 | 12 | 38.6 | 27 | 15.3 | 4.6 | 2.2 | 0.2 | 0.1 | 0 | 10.9 | 9.1 | 10.4 | 6.4 | 5.9 | |
| EDM2024.04 | 10.5 | 39.8 | 28 | 14.5 | 4 | 2.9 | 0.2 | 0.1 | 0 | 11 | 9.7 | 10.5 | 6.8 | 6.3 | |
| QM92024.04 | 10.2 | 39.3 | 27.6 | 15.1 | 4.4 | 2.7 | 0.6 | 0.2 | 0 | 99 | 95.2 | 97.7 | — | — | |
| GeoBFN2024.04 | 2.8 | 41.5 | 32.1 | 15.7 | 4.7 | 2.7 | 0.3 | 0.1 | 0 | 10.9 | 9.1 | 10.4 | 6.7 | 6.1 |