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  1. The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at

    Jupyter Notebook 119 38

  2. Force fields produced by the Open Force Field Initiative

    Python 22 8

  3. Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 169 41

  4. A pocket volume analyzer for use in protein modeling.

    Python 20 6

  5. A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format

    Python 20 6

  6. Biology and Chemistry Computational Research

    Jupyter Notebook 3 3

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Contribution activity

December 2020

Created 1 commit in 1 repository

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