FTDiff applies GRPO-style RL fine-tuning and fast sampling to a time-free pretrained diffusion model to generate valid diverse high-quality molecules balancing multiple drug design objectives in SBDD.
Aligning target-aware molecule diffusion models with exact energy optimization
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Fine-Tuning Diffusion Models for Molecular Generation via Reinforcement Learning and Fast Sampling
FTDiff applies GRPO-style RL fine-tuning and fast sampling to a time-free pretrained diffusion model to generate valid diverse high-quality molecules balancing multiple drug design objectives in SBDD.