Numerically stable analysis of metastable Markov chains in Python
Project description
PyGT : Numerically stable analysis of metastable Markov chains in Python
Tom Swinburne, CNRS-CINaM, swinburne at cinam.univ-mrs.fr
Deepti Kannan, U Cambridge
v0.1.0 :copyright: TD Swinburne and D Kannan 2020
Beta version of code used in the papers below. Please see full documentation and examples at readthedocs
T.D. Swinburne and D.J. Wales, Defining, Calculating, and Converging Observables of a Kinetic Transition Network, J. Chemical Theory and Computation (2020), link
T.D. Swinburne, D. Kannan, D.J. Sharpe and D.J. Wales, Rare Events and First Passage Time Statistics From the Energy Landscape, J. Chemical Physics (accepted 2020)
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