How to cite pyGPCCA

If you use pyGPCCA or parts of it to model molecular dynamics, e.g. to coarse-grain protein conformational dynamics, cite [Reuter18] as:

    author = {Reuter, Bernhard and Weber, Marcus and Fackeldey, Konstantin and Röblitz, Susanna and Garcia, Martin E.},
    title = {Generalized Markov State Modeling Method for Nonequilibrium Biomolecular Dynamics:
    Exemplified on Amyloid β Conformational Dynamics Driven by an Oscillating Electric Field},
    journal = {Journal of Chemical Theory and Computation},
    volume = {14},
    number = {7},
    pages = {3579-3594},
    year = {2018},
    doi = {10.1021/acs.jctc.8b00079},
    note  = {PMID: 29812922},

If you use pyGPCCA or parts of it in a more general context, e.g. to model cellular dynamics, cite [Reuter19] as:

    author = {Reuter,Bernhard and Fackeldey,Konstantin and Weber,Marcus },
    title = {Generalized Markov modeling of nonreversible molecular kinetics},
    journal = {The Journal of Chemical Physics},
    volume = {150},
    number = {17},
    pages = {174103},
    year = {2019},
    doi = {10.1063/1.5064530},

Please also consider to cite the appropriate version of the pyGPCCA package as deposited on Zenodo [Reuter22].