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14 followers · 4 following · 20
  • OpenEye Scientific Software
  • Santa Fe, NM

Highlights

  • Arctic Code Vault Contributor

Organizations

@MobleyLab

Pinned

  1. MobleyLab/chemper

    Repository for Chemical Perception Sampling Tools

    Python 8 5

  2. openforcefield/openforcefield

    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 118 35

  3. openforcefield/smirnoff99Frosst

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

    Python 19 6

  4. samplchallenges/SAMPL6

    Challenge inputs, details, and results for the SAMPL6 series of challenges

    Python 31 20

4 contributions in the last year

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Contribution activity

April - October 2020

bannanc has no activity yet for this period.

March 2020

Created an issue in MobleyLab/chemper that received 2 comments

The jupyter notebooks were not updated when name changes occurred.

Multiple jupyter notebooks are having import errors related to name changes in the most recent pull request. That means the tests are not running t…

2 comments

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