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Category Archives: Research

MIKE IO: input/output of MIKE files in python

MIKE IO: input/output of MIKE files in python Read, write and manipulate dfs0, dfs1, dfs2, dfs3, dfsu and mesh files. Facilitates common data processing workflows for MIKE files. For res1d and xns11 files use the related package MIKE IO 1D Requirements Windows or Linux operating

Python implementation of the multistate Bennett acceptance ratio

pymbar Python implementation of the multistate Bennett acceptance ratio (MBAR) method for estimating expectations and free energy differences from equilibrium samples from multiple probability densities. Installation The easiest way to install the pymbar release is via conda: conda install -c conda-forge pymbar You can also