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1. polymerist polymerist Public

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

   Python 3 3

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

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

   Python 69 22

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 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 309 90

5. openforcefield/polymer_examples openforcefield/polymer_examples Public

   Example polymers for testing.

   Jupyter Notebook 6 2

6. biokinetics biokinetics Public

   Development of general methods for constructing and solving kinetic equations of complex reaction networks

   Jupyter Notebook