/sparsembar

A Sparse-Matrix Variant of MBAR

Primary LanguagePythonMIT LicenseMIT

Sparse MBAR

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License

Overview

A sparse-matrix variant of the Multistate Bennett Acceptance Ratio (MBAR) method.

Installation and Usage

This package is available as a conda package on the craabreu channel. To install it, simply run:

    conda install -c conda-forge -c craabreu sparsembar

Or, if you prefer to use mamba instead of conda:

    mamba install -c conda-forge -c craabreu sparsembar

To use sparsembar in your own Python script or Jupyter notebook, simply import it as follows:

    import sparsembar

Documentation

The documentation for SparseMBAR is available at Read the Docs.

Copyright

Copyright (c) 2023, Charlles Abreu

Acknowledgements

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