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Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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Pinned

  1. qmhub qmhub Public

    A QM/MM interface

    Python 3 3

  2. HartreeFock.jl HartreeFock.jl Public

    Hartree-Fock in Julia

    Julia 1

  3. libsqm libsqm Public

    Shared library version of the sqm program from AmberTools

    Fortran

  4. pydftd3 pydftd3 Public

    A Python wrapper for S. Grimme's DFTD3 code

    Python