Empowering LLMs for Structure-Based Drug Design via Exploration-Augmented Latent Inference

Explore ELILLM, a novel framework integrating Bayesian optimization and knowledge-guided decoding to enhance LLM-based molecular generation for structure-bas...

Level: advanced

By Xuanning Hu, Anchen Li, Qianli Xing, Jinglong Ji, Hao Tuo, Bo Yang

Category: research