Modifications to ænet-PyTorch for transfer learning. Original code availabe at https://github.com/atomisticnet/aenet-PyTorch. See its documentation for compilation and usage details.

If you make use of the original ænet-PyTorch interface, please cite the following reference:

J. Lopez-Zorrilla*, X.M. Aretxabaleta, I.W. Yeu, I. Etxebarria, H. Manzano, N. Artrith*, ænet-PyTorch: A GPU-Supported Implementation for Machine Learning Atomic Potentials Training, J. Chem. Phys. 158, 164105 (2023). DOI: https://doi.org/10.1063/5.0146803 OpenAccess