Constrained Property Optimization on ZINC250K
6.42ImprovementPS-VAE
Evaluation results
| Method | Links | ||
|---|---|---|---|
| PS-VAEdelta=0.22021.06 | 6.42 | 99.9 | |
| GraphDFdelta=0.22021.06 | 5.62 | 100 | |
| GraphAFdelta=0.22021.06 | 4.99 | 100 | |
| F-VAE*delta=0.22021.06 | 4.82 | 98.9 | |
| PS-VAEdelta=0.42021.06 | 4.19 | 98.9 | |
| GraphDFdelta=0.42021.06 | 4.13 | 100 | |
| MARSdelta=0.22021.06 | 4.13 | 100 | |
| GCPNdelta=0.22021.06 | 4.12 | 100 | |
| GraphAFdelta=0.42021.06 | 3.74 | 100 | |
| F-VAE*delta=0.42021.06 | 3.6 | 89.9 | |
| H-VAE*delta=0.22021.06 | 3.42 | 89.9 | |
| GAdelta=0.22021.06 | 3.04 | 100 | |
| H-VAE*delta=0.42021.06 | 2.68 | 74 | |
| PS-VAEdelta=0.62021.06 | 2.52 | 90.3 | |
| GCPNdelta=0.42021.06 | 2.49 | 100 | |
| MARSdelta=0.42021.06 | 2.41 | 99.2 | |
| F-VAE*delta=0.62021.06 | 2.4 | 68.6 | |
| GAdelta=0.42021.06 | 2.34 | 100 | |
| GraphAFdelta=0.62021.06 | 1.95 | 98.4 | |
| H-VAE*delta=0.62021.06 | 1.9 | 51.5 | |
| GraphDFdelta=0.62021.06 | 1.72 | 93 | |
| JT-VAEdelta=0.22021.06 | 1.68 | 97.1 | |
| GAdelta=0.62021.06 | 1.35 | 95.9 | |
| MARSdelta=0.62021.06 | 1.21 | 69.6 | |
| JT-VAEdelta=0.42021.06 | 0.84 | 83.6 | |
| GCPNdelta=0.62021.06 | 0.79 | 100 | |
| JT-VAEdelta=0.62021.06 | 0.21 | 46.4 |