Molecular Property Optimization on kinase like
92Normalized Rewardπ(·|y*)
Evaluation results
| Method | Links | |
|---|---|---|
| π(·|y*)2026.04 | 92 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=642026.04 | 57 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=322026.04 | 52 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=162026.04 | 51 | |
| RLRL training budget=20002026.04 | 48 | |
| RLRL training budget=10002026.04 | 47 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=82026.04 | 40 | |
| RLRL training budget=5002026.04 | 32 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=42026.04 | 29 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=22026.04 | 13 |