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Molecular Property Optimization on selective 3d druglike
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0.81
Normalized Reward
π(·|y*)
0.2172
0.3711
0.525
0.6789
Apr 16, 2026
Normalized Reward
Updated 1mo ago
Evaluation Results
Method
Method
Links
Normalized Reward
π(·|y*)
2026.04
0.81
RL
RL training budget=2000
2026.04
0.8
RL
RL training budget=1000
2026.04
0.79
RL
RL training budget=500
2026.04
0.69
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.68
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.67
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.67
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.59
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.46
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.24
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