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Achievements

Achievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: YOLO

Achievements

Achievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: YOLO

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@grimme-lab

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Pinned Loading

  1. grimme-lab/CENSO grimme-lab/CENSO Public

    CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

    Python 37 18

  2. grimme-lab/multicharge grimme-lab/multicharge Public

    Electronegativity equilibration model for atomic partial charges

    Fortran 26 26

  3. tblite tblite Public

    Forked from tblite/tblite

    Light-weight tight-binding framework

    Fortran

  4. xtb xtb Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran