AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification.
Muhammed ShuaibiYuge HuXiangyun LeiBenjamin M. ComerMatt AdamsJacob ParasRui Qi ChenEric MusaJoseph MusielewiczAndrew A. PetersonAndrew J. MedfordZachary W. UlissiPublished in: J. Open Source Softw. (2023)