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This repository holds the data generated with the MSM/RD software to produce the plots for the paper: ``Multiscale molecular kinetics by coupling Markov state models and reaction-diffusion dynamics'' by Mauricio J. del Razo, Manuel Dibak, Christof Schütte and Frank Noé. The plots are stored in the plots directory. The plotting scripts are written using jupyter notebooks and require numpy and matplotlib. To produce the plots yourself, just run the notebooks included in this folder. The MSM/RD code is written in c++ with python bindings. The code is still in constant development, and there is no official release. Active development of the code is done on this github repository. The exact version of the code used for the paper can be found on this Zenodo repository.
MSM/RD, multiscale molecular dynamics, Brownian dynamics of rigid bodies, hybrid switching diffusions
MSM/RD, multiscale molecular dynamics, Brownian dynamics of rigid bodies, hybrid switching diffusions
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