Structure-aware Reinforcement Learning for Protein Directed Evolution

Excerpt

arXiv:2609.39048v1 Announce Type: new Abstract: Protein optimization remains a longstanding goal in life sciences. Existing machine learning-assisted directed evolution (MLDE) methods primarily rely on sequence-only features, overlooking the critical spatial constraints and co-evolutionary interactions encoded in protein structures. However, directly integrating structural information remains challenging due to the scarcity of reliable mutant structures. To address these issues, we propose Struc