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31 followers · 4 following
  • OpenEye, Cadence Molecular Sciences
  • Seattle WA

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Achievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

Achievements

Achievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

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@MobleyLab

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  1. MobleyLab/chemper MobleyLab/chemper Public

    Repository for Chemical Perception Sampling Tools

    Python 24 11

  2. 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 411 106

  3. openforcefield/smirnoff99Frosst openforcefield/smirnoff99Frosst Public archive

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

    Python 31 8

  4. samplchallenges/SAMPL6 samplchallenges/SAMPL6 Public

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

    Python 55 34