Molecule Generation Search Time on GSK3β-JNK3
1Sampling/Searching Time (per Iteration)REINVENT
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| REINVENTPretraining=Yes, Finetuning=Yes2026.04 | 1 | 1 | 10 | |
| MARSPretraining=Yes, Finetuning=No2026.04 | 8 | 6 | 10 | |
| CombiMOTSPretraining=(Oracles), Finetuning=No2026.04 | 9 | 4 | 79 | |
| RationaleRLPretraining=Yes, Finetuning=Yes2026.04 | 10 | 1 | 10 | |
| MothraPretraining=Yes, Finetuning=Yes2026.04 | 17 | 30 | 131 | |
| MolSearchPretraining=Yes, Finetuning=No2026.04 | 23 | 57 | 493 |