Optimizing drug design by merging generative AI with a physics-based active learning framework by 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

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