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bussilab/MDRefine

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GitHub tag (latest SemVer) PyPI PyPI - Python Version CI

A package to perform refinement of MD simulation trajectories.

To install package and dependencies with pip (version from PyPI):

pip install bussilab

You can install the development version by cloning the repository and, from its root directory, type:

pip install -e .

Note that this is still at development stage, so also the version from PyPI is not expected to be stable yet

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