Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials. - Yuge Hu; Joseph Musielewicz; Zachary W. Ulissi; Andrew J. Medford (Mach. Learn. Sci. Technol., 2022)

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 J. Medford; Zachary W. Ulissi (J. Open Source Softw., 2023)