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@MobleyLab

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  1. Repository for Chemical Perception Sampling Tools

    Python 5 1

  2. 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 48 7

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

    Python 9 4

  4. Challenge inputs and details for the SAMPL6 challenge

    Python 20 14

254 contributions in the last year

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Contribution activity

March 2019

bannanc has no activity yet for this period.

February 2019

Created a pull request in openforcefield/smirnoff99Frosst that received 5 comments

Update README with new Version information and change to cc-by-4.0 license

This PR adds the new version 1.0.8 to the README and updates the zenodo link to that DOI.

+398 −20 5 comments

Created an issue in openforcefield/openforcefield that received 10 comments

Make all offxml files compatible

@ChayaSt attempted to run the example from the README and was running into a weird error, that initially I wasn't able to replicate, but then tried…

10 comments

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