Molecular Design on SARS-CoV-2 PLPro_7JIR (test)
0.925Avg Top-100 ScoreGenetic GFN
Evaluation results
| Method | Links | |
|---|---|---|
| Genetic GFNUpdate Steps=10002024.02 | 0.925 | |
| Genetic GFNUpdate Steps=1002024.02 | 0.891 | |
| MolRL-MGPTUpdate Steps=10002024.02 | 0.772 | |
| Graph GAUpdate Steps=10002024.02 | 0.723 | |
| REINVENTUpdate Steps=10002024.02 | 0.717 | |
| GFlowNetUpdate Steps=10002024.02 | 0.326 | |
| JT-VAEUpdate Steps=10002024.02 | 0.272 |