@ARTICLE{SchKesGasNicTkaMue19,
    author = {Sch\"utt, KT and Kessel, Pan and Gastegger, Michael and Nicoli, KA and Tkatchenko, Alexandre and M\"uller, K-R},
    title = "SchNetPack: A Deep Learning Toolbox For Atomistic Systems",
    journal = "Journal of chemical theory and computation",
    volume = "15",
    number = "1",
    pages = "448--455",
    year = "2019",
    publisher = "ACS Publications"
}