MSM/RD generated data/plots

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.本仓库存储了使用MSM/RD软件生成的数据，用于制作论文《耦合马尔可夫状态模型与反应扩散动力学的多尺度分子动力学》（作者为Mauricio J. del Razo、Manuel Dibak、Christof Schütte与Frank Noé）的配图。 所有绘图结果均存储于plots目录下。绘图脚本采用Jupyter Notebook编写，依赖numpy与matplotlib库。若需自行复现绘图结果，仅需运行本文件夹内的Notebook文件即可。 MSM/RD代码采用C++编写，并附带Python绑定。该代码仍处于持续开发阶段，尚未发布正式版本，当前活跃开发工作托管于该GitHub仓库。本论文所使用的代码精确版本可在该Zenodo仓库中获取。