Distribution-learning on GuacaMol (test)
100ValidityVGAE-MCTS
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| VGAE-MCTSModel Category=ARs2024.07 | 100 | 100 | 100 | 0.659 | 0.009 | |
| ChemBFN*Model Category=BFNs, Discretization steps=102024.07 | 100 | 85.3 | 100 | 0.451 | 0 | |
| ChemBFN*Model Category=BFNs, Discretization steps=1002024.07 | 100 | 84.6 | 99.4 | 0.803 | 0.11 | |
| ChemBFN*Model Category=BFNs, Discretization steps=1k2024.07 | 100 | 85 | 99.4 | 0.811 | 0.142 | |
| MolGPTModel Category=ARs2024.07 | 98.1 | 99.8 | 100 | 0.992 | 0.907 | |
| SMILES LSTMModel Category=ARs2024.07 | 95.9 | 100 | 91.2 | 0.991 | 0.913 | |
| DiGressModel Category=DMs2024.07 | 85.2 | 100 | 99.9 | 0.929 | 0.68 | |
| ChemBFNModel Category=BFNs, Discretization steps=1k2024.07 | 80.7 | 81.8 | 87.5 | 0.808 | 0.388 |