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 install pymbar from the Python package index using pip: pip install pymbar The development version can be installed directly from github via pip: pip install git+https://github.com/choderalab/pymbar.git Usage Basic usage involves importing pymbar and constructing an […]
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