PocketX: Preference Alignment for Protein Pockets Design through Group Relative Policy Optimization
Yuliang Fan, Zaikai He, Bin Li, Bin He, Mingshu Zhang, Jian Zhang, Haicang Zhang
PocketX uses reinforcement learning to align protein pocket design with biophysical properties, outperforming existing methods on binding energy and evolutionary plausibility.
bioRxiv · Dec 28, 2025 · PreprintBioinformatics