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"AmpTorch: A Python package for scalable fingerprint-based neural network ..."
Muhammed Shuaibi et al. (2023)
- 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
:
AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification. J. Open Source Softw. 8(87): 5035 (2023)
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