2 papers
cs.LG2026
The limits of bio-molecular modeling with large language models : a cross-scale evaluation
Yaxin Xu, Yue Zhou, Tianyu Zhao +2
The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecu…
cs.LG2025
Concept-Driven Deep Learning for Enhanced Protein-Specific Molecular Generation
Taojie Kuang, Qianli Ma, Athanasios V. Vasilakos +4
In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing mole…