Popular repositories

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