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      ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training 

      López Zorrilla, Jon; Méndez Aretxabaleta, Xabier; Yeu, In Won; Etxebarria Altzaga, Iñigo ORCID; Manzano Moro, Hegoi ORCID; Artrith, Nongnuch (AIP, 2023-04)
      In this work, we present ænet-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extension of the atomic energy network (ænet), ...