Molecular Generation on QM9 10K generated molecules (Validity, Novelty, Diversity)
100ValidityMOLPAQ
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| MOLPAQModel Type=GAN, Time (s)=0.0362026.03 | 100 | 100 | 99.75 | 0.905 | |
| QVAE-MoleModel Type=VAE, Time (s)=0.082026.03 | 78.13 | 27.39 | 57.38 | 0.64 | |
| QGAN-HGModel Type=GAN, Time (s)=0.042026.03 | 66.64 | 8.08 | 18.48 | 0.72 | |
| SQ-VAEModel Type=VAE, Time (s)=0.152026.03 | 44.23 | 7.24 | 16.32 | 0.58 | |
| P2-QGAN-HGModel Type=GAN, Time (s)=0.022026.03 | 17.64 | 12.38 | 9.54 | 0.55 |