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

    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

1,176 contributions in the last year

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Contribution activity

December 2020

Created 1 commit in 1 repository

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