Molecular Generation on MOSES scaffold (test)
0.828FCDLatentGAN
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| LatentGANCategory=ARs2024.07 | 0.828 | 0.513 | 99.7 | 10.7 | 97.4 | |
| JTN-VAECategory=ARs2024.07 | 0.938 | 0.519 | 99.5 | 10.1 | 97.6 | |
| DiGressCategory=DMs2024.07 | 1.19 | 0.52 | — | 14.8 | 97.1 | |
| GraphINVENTCategory=ARs2024.07 | 1.223 | 0.539 | 98.6 | 12.7 | 95 | |
| ChemBFN100Category=BFNs, Sampling steps=100, Representation=SMILES2024.07 | 2.604 | 0.562 | 99.1 | 10.3 | 98.5 | |
| ChemBFN1kCategory=BFNs, Sampling steps=1000, Representation=SMILES2024.07 | 2.73 | 0.565 | 99 | 9.4 | 98.7 | |
| ChemBFN10Category=BFNs, Sampling steps=10, Representation=SMILES2024.07 | 2.768 | 0.533 | 98.8 | 14.5 | 97.6 | |
| ChemBFN*1kCategory=BFNs, Sampling steps=1000, Representation=SELFIES2024.07 | 4.473 | 0.524 | 97.6 | 14.1 | 96.2 | |
| ChemBFN*100Category=BFNs, Sampling steps=100, Representation=SELFIES2024.07 | 4.802 | 0.517 | 97.6 | 14.1 | 95.5 | |
| ChemBFN*10Category=BFNs, Sampling steps=10, Representation=SELFIES2024.07 | 11.79 | 0.422 | 96.5 | 11.8 | 80.6 |