AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems

Python Jupyter Notebook Rust Submitted 16 January 2025Published 10 July 2025
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Editor: @mbobra (all papers)
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Authors

Arthur Yan Lin (0000-0002-7665-3767), Lucas Ortengren (0009-0002-8899-7513), Seonwoo Hwang, Yong-Cheol Cho (0009-0001-6038-6764), Jigyasa Nigam (0000-0001-6857-4332), Rose K. Cersonsky (0000-0003-4515-3441)

Citation

Lin et al., (2025). AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems. Journal of Open Source Software, 10(111), 7954, https://doi.org/10.21105/joss.07954

@article{Lin2025, doi = {10.21105/joss.07954}, url = {https://doi.org/10.21105/joss.07954}, year = {2025}, publisher = {The Open Journal}, volume = {10}, number = {111}, pages = {7954}, author = {Lin, Arthur Yan and Ortengren, Lucas and Hwang, Seonwoo and Cho, Yong-Cheol and Nigam, Jigyasa and Cersonsky, Rose K.}, title = {AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems}, journal = {Journal of Open Source Software} }
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