Repositories list

• cp2k

  Public
  Quantum chemistry and solid state physics software package

  simulationhpcquantum-chemistry+ 1

  simulationhpcquantum-chemistrymaterial-science

  Fortran

  •

  GNU General Public License v2.0

  •492492 forks•1.2k1.2k stars•9898 issues•88 pull requests•Updated Aug 5, 2026Aug 5, 2026

• cp2k-ci

  Public
  CP2K Continuous Integration

  Python

  •

  GNU General Public License v2.0

  •22 forks•00 stars•88 issues•00 pull requests•Updated Aug 5, 2026Aug 5, 2026

• dbcsr

  Public
  DBCSR: Distributed Block Compressed Sparse Row matrix library

  hpclinear-algebrampi+ 7

  hpclinear-algebrampicudamatrix-multiplicationblassparse-matrixcp2kgemmopenmp-parallelization

  Fortran

  •

  GNU General Public License v2.0

  •5757 forks•155155 stars•7070 issues•33 pull requests•Updated Aug 4, 2026Aug 4, 2026

• cp2k-input-tools

  Public
  Fully validating pure-python CP2K input file tools including preprocessing capabilities

  pythonparsercp2k

  pythonparsercp2k

  Python

  •

  MIT License

  •1515 forks•6262 stars•88 issues•88 pull requests•Updated Aug 3, 2026Aug 3, 2026

• cp2k-output-tools

  Public
  Python tools to handle CP2K output files

  pythoncp2k

  pythoncp2k

  Python

  •

  MIT License

  •1919 forks•5353 stars•44 issues•55 pull requests•Updated Aug 3, 2026Aug 3, 2026

• vim-cp2k

  Public
  Syntax highlighting in Vim for CP2K input files

  Vim Script

  •22 forks•1010 stars•11 issue•00 pull requests•Updated Jul 31, 2026Jul 31, 2026

• cp2k-data

  Public
  CP2K data

  Fortran

  •

  GNU General Public License v2.0

  •44 forks•22 stars•00 issues•00 pull requests•Updated May 13, 2026May 13, 2026

• cp2k-examples

  Public
  Jupyter Notebook

  •1111 forks•2121 stars•00 issues•00 pull requests•Updated Apr 26, 2026Apr 26, 2026

• cp2k-containers

  Public
  CP2K containers

  Dockerfile

  •

  GNU General Public License v2.0

  •55 forks•1717 stars•00 issues•11 pull request•Updated Aug 19, 2025Aug 19, 2025