@article{schutt2022schnetpack, author = {Sch{\"u}tt, Kristof T and Hessmann, Stefaan SP and Gebauer, Niklas WA and Lederer, Jonas and Gastegger, Michael}, title = "SchNetPack 2.0: A neural network toolbox for atomistic machine learning", journal = "arXiv preprint arXiv:2212.05517", year = "2022" }