Xponge: A Python package to perform pre- and post-processing of molecular simulations

Python Submitted 22 May 2022Published 22 September 2022
Review

Editor: @richardjgowers (all papers)
Reviewers: @ojeda-e (all reviews), @hmacdope (all reviews)

Authors

Yijie Xia (0000-0002-7931-4015), Yi Qin Gao

Citation

Xia et al., (2022). Xponge: A Python package to perform pre- and post-processing of molecular simulations. Journal of Open Source Software, 7(77), 4467, https://doi.org/10.21105/joss.04467

@article{Xia2022, doi = {10.21105/joss.04467}, url = {https://doi.org/10.21105/joss.04467}, year = {2022}, publisher = {The Open Journal}, volume = {7}, number = {77}, pages = {4467}, author = {Yijie Xia and Yi Qin Gao}, title = {Xponge: A Python package to perform pre- and post-processing of molecular simulations}, journal = {Journal of Open Source Software} }
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molecular modelling molecular simulation molecular dynamics pre-process and post-process

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ISSN 2475-9066