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Molecular Property Optimization on low tox proxy
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1.14
Normalized Reward
RL
0.1624
0.4162
0.67
0.9238
Apr 16, 2026
Normalized Reward
Updated 1mo ago
Evaluation Results
Method
Method
Links
Normalized Reward
RL
RL training budget=2000
2026.04
1.14
RL
RL training budget=1000
2026.04
0.96
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.86
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.82
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.77
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.74
RL
RL training budget=500
2026.04
0.63
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.55
π(·|y*)
2026.04
0.54
Reward Weighted Classifier-Free Guidance (RCFG)
Inference-time samplin...
2026.04
0.2
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