MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems

Jupyter Notebook C++ C Cuda Submitted 23 June 2024Published 15 August 2024
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Editor: @srmnitc (all papers)
Reviewers: @raynol-dsouza (all reviews), @aazocar (all reviews)

Authors

Benjamin B. Ye (0000-0003-0253-6311), Pierre J. Walker (0000-0001-8628-6561), Zhen-Gang Wang (0000-0002-3361-6114)

Citation

Ye et al., (2024). MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems. Journal of Open Source Software, 9(100), 7013, https://doi.org/10.21105/joss.07013

@article{Ye2024, doi = {10.21105/joss.07013}, url = {https://doi.org/10.21105/joss.07013}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {100}, pages = {7013}, author = {Benjamin B. Ye and Pierre J. Walker and Zhen-Gang Wang}, title = {MDCraft: A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems}, journal = {Journal of Open Source Software} }
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Python molecular dynamics trajectory analysis soft matter

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ISSN 2475-9066