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@qcscine

scine

Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich

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  1. sparrow sparrow Public

    C++ 89 15

  2. chemoton chemoton Public

    Python 67 7

  3. qcmaquis qcmaquis Public

    Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

    C++ 49 19

  4. molassembler molassembler Public

    Chemoinformatics toolkit with support for inorganic molecules

    C++ 47 9

  5. autocas autocas Public

    Python 39 4

  6. readuct readuct Public

    C++ 23 4

Repositories

Showing 10 of 25 repositories
  • vizchemoton Public

    Visualization of the reaction networks from Chemoton, including networks, energies, molecular models and profiles, based in Bokeh

    qcscine/vizchemoton's past year of commit activity
    HTML 4 BSD-3-Clause 0 0 0 Updated Aug 7, 2026
  • utilities Public
    qcscine/utilities's past year of commit activity
    C++ 5 BSD-3-Clause 4 3 1 Updated Jul 24, 2026
  • nevpt2 Public

    QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.

    qcscine/nevpt2's past year of commit activity
    Fortran 8 LGPL-2.1 5 0 0 Updated Jun 16, 2026
  • qcmaquis Public

    Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

    qcscine/qcmaquis's past year of commit activity
    C++ 49 BSD-3-Clause 19 23 0 Updated Apr 23, 2026
  • parrot Public
    qcscine/parrot's past year of commit activity
    Python 2 BSD-3-Clause 0 0 0 Updated Oct 20, 2025
  • chemoton Public
    qcscine/chemoton's past year of commit activity
    Python 67 BSD-3-Clause 7 4 0 Updated Oct 9, 2025
  • kinetx Public
    qcscine/kinetx's past year of commit activity
    C++ 5 BSD-3-Clause 0 0 0 Updated Oct 9, 2025
  • art Public
    qcscine/art's past year of commit activity
    Python 6 BSD-3-Clause 0 0 0 Updated Oct 9, 2025
  • swoose Public
    qcscine/swoose's past year of commit activity
    C++ 15 BSD-3-Clause 1 0 0 Updated Oct 9, 2025
  • puffin Public
    qcscine/puffin's past year of commit activity
    Python 12 BSD-3-Clause 1 1 0 Updated Oct 9, 2025
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