2 papers
cs.LG2026
Protein Representation Learning with Secondary-Structure and Energy-Filtered Hydrogen-Bond Graphs
Mohamed Mouhajir, Limei Wang, El Houcine Bergou +3
Graph-based representations are widely used in protein modeling, yet many existing approaches rely primarily on sequence adjacency or geometric proximity, which only partially refl…
cs.LG2025
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig +60
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating…