Optimizing drug design by merging generative AI with a physics-based active learning framework - Isaac Filella-Merce; Alexis Molina; Lucía Díaz; Marek Orzechowski; Yamina A. Berchiche; Yang Ming Zhu; Júlia Vilalta-Mor; Laura Malo; Ajay S. Yekkirala; Soumya Ray; Victor Guallar (Communications Chemistry, 2025)