Molecular Conformation Prediction on GEOM-QM9
98.9CoverageENBP
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| ENBPGen. Budget (C)=2002026.06 | 98.9 | 0.09 | 0.105 | 1.25 | |
| ENBPGen. Budget (C)=1002026.06 | 98.2 | 0.102 | 0.115 | 0.85 | |
| ENBPGen. Budget (C)=502026.06 | 96.8 | 0.115 | 0.13 | 0.65 | |
| Torsional Diff.Gen. Budget (C)=2002026.06 | 95.4 | 0.125 | 0.145 | 170.4 | |
| Torsional Diff.Gen. Budget (C)=1002026.06 | 93.8 | 0.142 | 0.16 | 85.2 | |
| GeoDiffGen. Budget (C)=2002026.06 | 93.5 | 0.165 | 0.185 | 249 | |
| ENBPGen. Budget (C)=102026.06 | 92.5 | 0.142 | 0.165 | 0.45 | |
| GeoDiffGen. Budget (C)=1002026.06 | 91.4 | 0.185 | 0.21 | 124.5 | |
| Torsional Diff.Gen. Budget (C)=502026.06 | 91.2 | 0.165 | 0.182 | 42.6 | |
| GeoDiffGen. Budget (C)=502026.06 | 88.5 | 0.21 | 0.235 | 62.25 | |
| Torsional Diff.Gen. Budget (C)=102026.06 | 86.8 | 0.198 | 0.224 | 8.52 | |
| ConfGNNGen. Budget (C)=2002026.06 | 84.5 | 0.235 | 0.265 | 0.35 | |
| GeoDiffGen. Budget (C)=102026.06 | 82.4 | 0.245 | 0.278 | 12.45 | |
| GeoMolGen. Budget (C)=2002026.06 | 81.4 | 0.28 | 0.31 | 0.25 | |
| ConfGNNGen. Budget (C)=1002026.06 | 81.2 | 0.25 | 0.28 | 0.28 | |
| GeoMolGen. Budget (C)=1002026.06 | 78.5 | 0.295 | 0.325 | 0.18 | |
| ConfGNNGen. Budget (C)=502026.06 | 78.4 | 0.285 | 0.31 | 0.22 | |
| GeoMolGen. Budget (C)=502026.06 | 74.2 | 0.32 | 0.35 | 0.15 | |
| ConfGNNGen. Budget (C)=102026.06 | 71.5 | 0.312 | 0.345 | 0.18 | |
| GeoMolGen. Budget (C)=102026.06 | 68.4 | 0.354 | 0.382 | 0.12 |