Molecular Property Optimization on fragment like
71Normalized Rewardπ(·|y*)
Evaluation results
| Method | Links | |
|---|---|---|
| π(·|y*)2026.04 | 71 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=642026.04 | 34 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=322026.04 | 32 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=162026.04 | 29 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=82026.04 | 25 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=42026.04 | 16 | |
| RLRL training budget=10002026.04 | 11 | |
| RLRL training budget=20002026.04 | 11 | |
| RLRL training budget=5002026.04 | 10 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=22026.04 | 5 |