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Authors
Xiangyun Lei (0000-0002-2333-9205), Joseph Montoya (0000-0001-5760-2860)
Citation
Lei et al., (2023). GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems. Journal of Open Source Software, 8(88), 5476, https://doi.org/10.21105/joss.05476
@article{Lei2023,
doi = {10.21105/joss.05476},
url = {https://doi.org/10.21105/joss.05476},
year = {2023},
publisher = {The Open Journal},
volume = {8},
number = {88},
pages = {5476},
author = {Xiangyun Lei and Joseph Montoya},
title = {GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems},
journal = {Journal of Open Source Software}
}
Tags
Parallelization Machine Learning Chemistry Molecular Dynamics
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