Pinned

1. 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 292 85

2. openforcefield/openff-forcefields openforcefield/openff-forcefields Public

   Force fields produced by the Open Force Field Initiative

   Python 112 24

3. MolSSI/cookiecutter-cms MolSSI/cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 356 88

4. POVME/POVME3 POVME/POVME3 Public

   A pocket volume analyzer for use in protein modeling.

   Python 42 9

5. openforcefield/smirnoff99Frosst openforcefield/smirnoff99Frosst Public

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

   Python 28 9

6. ctlee/BioChemCoRe-2018 ctlee/BioChemCoRe-2018 Public

   Biology and Chemistry Computational Research

   Jupyter Notebook 6 4