Pinned Loading

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

   Python 383 102

2. Force fields produced by the Open Force Field Initiative

   Python 180 26

3. Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

   Python 72 12

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

   Python 88 25

5. A physical property evaluation toolkit from the Open Forcefield Consortium.

   Python 58 21

6. An automated framework for generating optimized partial charges for molecules

   Python 40 7