Molecule generation on QM9 (Valid, NSPDK, FCD, Unique, Novel)
99.92ValidityIFH
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| IFHSpecific configuration=seq-12026.06 | 99.92 | 0.0003 | 0.902 | 96.63 | 88.33 | |
| FLAGGSpecific configuration={1, 4}2026.06 | 99.69 | 0.0003 | 0.144 | 96.96 | 76.04 | |
| CDGSMethod category=One-shot2026.06 | 99.68 | 0.0003 | 0.2 | 96.83 | 69.62 | |
| FLAGGSpecific configuration={1, 2}2026.06 | 99.49 | 0.0005 | 0.212 | 97.02 | 76.92 | |
| DiGressMethod category=One-shot2026.06 | 99 | 0.0005 | 0.36 | 96.66 | 33.4 | |
| IFHSpecific configuration=one-shot2026.06 | 95.31 | 0.002 | 1.512 | 96.93 | 94.65 | |
| IFHSpecific configuration={1, 2}2026.06 | 94.34 | 0.0004 | 0.904 | 97.08 | 89.11 | |
| GraphDFMethod category=Autoreg.2026.06 | 93.88 | 0.064 | 10.928 | 98.58 | 98.54 | |
| IFHSpecific configuration={1, 4}2026.06 | 92.51 | 0.0008 | 0.995 | 97.72 | 92.16 | |
| MoFlowMethod category=One-shot2026.06 | 91.36 | 0.017 | 4.467 | 98.65 | 94.72 | |
| GraphARMMethod category=Autoreg.2026.06 | 90.25 | 0.002 | 1.22 | 95.62 | 70.39 | |
| GraphAFMethod category=Autoreg.2026.06 | 74.43 | 0.021 | 5.625 | 88.64 | 86.59 |