alchemlyb: the simple alchemistry library

Zhiyi Wu; David L. Dotson; Irfan Alibay; Bryce K. Allen; Mohammad Soroush Barhaghi; Jérôme Hénin; Thomas T. Joseph; Ian M. Kenney; Hyungro Lee; Haoxi Li; Victoria Lim; Shuai Liu; Domenico Marson; Pascal T. Merz; Alexander Schlaich; David Mobley; Michael R. Shirts; Oliver Beckstein

doi:10.21105/joss.06934

Review

Editor: @srmnitc (all papers)
Reviewers: @glycodynamics (all reviews), @ryankzhu (all reviews)

Authors

Zhiyi Wu (0000-0002-7615-7851), David L. Dotson (0000-0001-5879-2942), Irfan Alibay (0000-0001-5787-9130), Bryce K. Allen (0000-0002-0804-8127), Mohammad Soroush Barhaghi (0000-0001-8226-7347), Jérôme Hénin (0000-0003-2540-4098), Thomas T. Joseph (0000-0003-1323-3244), Ian M. Kenney (0000-0002-9749-8866), Hyungro Lee (0000-0002-4221-7094), Haoxi Li (0009-0004-8369-1042), Victoria Lim (0000-0003-4030-9312), Shuai Liu (0000-0002-8632-633X), Domenico Marson (0000-0003-1839-9868), Pascal T. Merz (0000-0002-7045-8725), Alexander Schlaich (0000-0002-4250-363X), David Mobley (0000-0002-1083-5533), Michael R. Shirts (0000-0003-3249-1097), Oliver Beckstein (0000-0003-1340-0831)

Citation

Wu et al., (2024). alchemlyb: the simple alchemistry library. Journal of Open Source Software, 9(101), 6934, https://doi.org/10.21105/joss.06934

@article{Wu2024, doi = {10.21105/joss.06934}, url = {https://doi.org/10.21105/joss.06934}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {101}, pages = {6934}, author = {Zhiyi Wu and David L. Dotson and Irfan Alibay and Bryce K. Allen and Mohammad Soroush Barhaghi and Jérôme Hénin and Thomas T. Joseph and Ian M. Kenney and Hyungro Lee and Haoxi Li and Victoria Lim and Shuai Liu and Domenico Marson and Pascal T. Merz and Alexander Schlaich and David Mobley and Michael R. Shirts and Oliver Beckstein}, title = {alchemlyb: the simple alchemistry library}, journal = {Journal of Open Source Software} }

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