Top-down machine learning of coarse-grained protein force-fields. - Carles Navarro; Maciej Majewski; Gianni De Fabritiis (CoRR, 2023)

On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction. - Nikolai Schapin; Carles Navarro; Albert Bou; Gianni De Fabritiis (CoRR, 2024)

ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery. - Albert Bou; Morgan Thomas; Sebastian Dittert; Carles Navarro; Maciej Majewski; Ye Wang 024; Shivam Patel; Gary Tresadern; Mazen Ahmad; Vincent Moens; Woody Sherman; Simone Sciabola; et al. (J. Chem. Inf. Model., 2024)