Molecular Optimization on PMO benchmark
13.997AUC Top-1Genetic GFN-AL
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| Genetic GFN-ALrepresentation=SMILES2024.02 | 13.997 | 13.462 | 12.263 | |
| GP BO2024.02 | 13.718 | 13.115 | 12.05 | |
| SMILES GFN-AL with e-greedyrepresentation=SMILES, exploration=e-greedy2024.02 | 11.954 | 11.257 | 9.901 | |
| Fragments GFlowNet-ALrepresentation=Fragments2024.02 | 11.032 | 9.928 | 8.064 |