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Popular repositories Loading

  1. qc2-teaching qc2-teaching Public

    Forked from grimme-lab/qc2-teaching

    Resources for teaching quantum chemistry courses in Bonn

    Fortran 1

  2. CENSO CENSO Public

    Forked from grimme-lab/CENSO

    CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

    Python

  3. AoC-2022 AoC-2022 Public

    Advent of Code 2022 in any language that seems reasonable to me at the moment in time. Expect very hacky code.

    Fortran

  4. CPCM-X CPCM-X Public

    Forked from grimme-lab/CPCM-X

    Extended conduction-like polarizable continuum solvation model

    Fortran

  5. homebrew-qc homebrew-qc Public

    Forked from grimme-lab/homebrew-qc

    Brew formulas for xtb and related quantum chemistry programs

    Ruby

  6. xtb xtb Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran