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Achievements

Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Highlights

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Organizations

@durrantlab @oasci

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  1. scienting/atomea scienting/atomea Public

    A hierarchical data model for atomistic calculations

    Python 2 1

  2. scienting/simlify scienting/simlify Public

    Simplify your molecular simulation workflow.

    Python 1

  3. durrantlab/dimorphite_dl durrantlab/dimorphite_dl Public

    Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range

    Python 51 13

  4. scienting/raygent scienting/raygent Public

    Parallelism, Delegated

    Python 1

  5. cclib/cclib cclib/cclib Public

    Parsers and algorithms for computational chemistry logfiles

    Python 382 174

  6. durrantlab/POVME durrantlab/POVME Public

    Detect and characterize binding pockets from molecular simulations.

    Python 13 3