AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification
Muhammed Shuaibi, Yuge Hu, Xiangyun Lei, Benjamin M. Comer, Matt Adams, Jacob Paras, Rui Qi Chen, Eric Musa, Joseph Musielewicz, Andrew A. Peterson, Andrew James Medford, Zachary W. Ulissi · The Journal of Open Source Software · 2023
Shuaibi et al., (2023). AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification. Journal of Open Source Software, 8(87), 5035, https://doi.org/10.21105/joss.05035