JOSS Papers: by Xiangyun Lei

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published Published about 1 year ago

GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems

Python C++ C
@RayLei-TRI
10.21105/joss.05476
published Published about 1 year ago

AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification

Python C++ C G-code GAP
@ajmedford
10.21105/joss.05035
Displaying 2 papers

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ISSN 2475-9066