Putting some of the best local models to the development test ...
PyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations. In particular, it includes algorithms for estimation, ...
Initalise the submodules git submodule init; git submodule update Make sure you have docker installed and running. It is recommended to use Docker (it manages the CUDA runtime libraries and Python ...