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@openpathsampling

OpenPathSampling

An open source Python framework for path sampling simulations

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  1. openpathsampling Public

    An open source Python framework for transition interface and path sampling calculations.

    Python 112 49

  2. openpathsampling-cli Public

    Command line tools for OpenPathSampling

    Python 3 3

  3. ops_tutorial Public

    Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

    Jupyter Notebook 15 11

  4. ops_additional_examples Public

    Additional examples illustrating various aspects of OpenPathSampling

    Jupyter Notebook 2

  5. mini-tutorials Public

    Small, topic-focused tutorials for OpenPathSampling

    Jupyter Notebook 2

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