JOSS Papers: machine learning interatomic potentials

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published Published about 2 years ago

calorine: A Python package for constructing and sampling neuroevolution potential models

Python C++ Jupyter Notebook
@elindgren
10.21105/joss.06264
published Published over 2 years 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
published Published about 3 years ago

FitSNAP: Atomistic machine learning with LAMMPS

Python Cython C Jupyter Notebook
@rohskopf
10.21105/joss.05118
Displaying 3 papers

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ISSN 2475-9066