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  1. grimme-lab/xtb grimme-lab/xtb Public

    Semiempirical Extended Tight-Binding Program Package

    Fortran 584 144

  2. r2scanx-D4 r2scanx-D4 Public

    6 1

  3. tbcube tbcube Public

    Writing cube files from the tblite wavefunction

    Fortran 1

  4. AoC2023 AoC2023 Public

    Python