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Pinned

  1. polymerist polymerist Public

    Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools

    Python 1 2

  2. openforcefield/openff-interchange openforcefield/openff-interchange Public

    A project (and object) for storing, manipulating, and converting molecular mechanics data.

    Python 64 21

  3. polymerist_examples polymerist_examples Public

    A collection of demos, vignettes, and tutorials for the polymerist polymer structure and MD package (https://github.com/timbernat/polymerist)

    Jupyter Notebook 1

  4. openforcefield/openff-toolkit openforcefield/openff-toolkit Public

    The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

    Python 298 87

  5. NREL_polymers NREL_polymers Public

    Development of high-throughput structure generation and MD for NREL polymers projects

    Jupyter Notebook 1

  6. openforcefield/polymer_examples openforcefield/polymer_examples Public

    Example polymers for testing.

    Jupyter Notebook 6 1