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 = {Wu, Zhiyi and Dotson, David L. and Alibay, Irfan and Allen, Bryce K. and Barhaghi, Mohammad Soroush and Hénin, Jérôme and Joseph, Thomas T. and Kenney, Ian M. and Lee, Hyungro and Li, Haoxi and Lim, Victoria and Liu, Shuai and Marson, Domenico and Merz, Pascal T. and Schlaich, Alexander and Mobley, David and Shirts, Michael R. and Beckstein, Oliver}, title = {alchemlyb: the simple alchemistry library}, journal = {Journal of Open Source Software} }

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