@article{schnetpack20aneuralnetworktoolboxfor, title = {SchNetPack 2.0: A neural network toolbox for atomistic machine learning}, author = {Kristof T. Schütt and Stefaan S. P. Hessmann and Niklas W. A. Gebauer and Jonas Lederer and Michael Gastegger}, year = {2022}, eprint = {2212.05517}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2212.05517v1}, }