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Molecular Property Optimization on macrocycle like
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1.23
Normalized Reward
π(·|y*)
0.034
0.3445
0.655
0.9655
Apr 16, 2026
Normalized Reward
Updated 1mo ago
Evaluation Results
Method
Method
Links
Normalized Reward
π(·|y*)
2026.04
1.23
RL
RL training budget=2000
2026.04
0.77
RL
RL training budget=1000
2026.04
0.25
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.21
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.21
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.18
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.17
RL
RL training budget=500
2026.04
0.14
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.13
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.08
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