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Matgenix

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  1. pysisso pysisso Public archive

    Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.

    Python 64 20

  2. jobflow-remote jobflow-remote Public

    jobflow-remote is a Python package to run jobflow workflows on remote resources.

    Python 42 22

  3. turbomoleio turbomoleio Public

    Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.

    Python 21 10

  4. atomate2_cecam_school atomate2_cecam_school Public

    Jupyter Notebook 14

  5. qtoolkit qtoolkit Public

    Python 12 6

  6. atomate2-lammps atomate2-lammps Public archive

    An add-on package for atomate2 that implements workflows for the LAMMPS molecular dynamics code.

    Python 9 1

Repositories

Showing 10 of 27 repositories
  • datalab Public Forked from datalab-org/datalab

    datalab is a place to store experimental data and the connections between them.

    Matgenix/datalab's past year of commit activity
    Python 0 MIT 32 0 11 Updated Sep 29, 2026
  • jobflow-remote Public

    jobflow-remote is a Python package to run jobflow workflows on remote resources.

    Matgenix/jobflow-remote's past year of commit activity
    Python 42 22 48 5 Updated Sep 28, 2026
  • atomate2-turbomole Public

    Workflows for Turbomole

    Matgenix/atomate2-turbomole's past year of commit activity
    Python 4 0 1 10 Updated Sep 28, 2026
  • datalab-item-plugin-template Public

    Copier template for datalab plugins that register custom item types

    Matgenix/datalab-item-plugin-template's past year of commit activity
    Jinja 0 MIT 0 1 0 Updated Sep 24, 2026
  • datalab-item-plugin-example-custom-vue Public

    Example datalab custom item type plugin with a custom Vue panel

    Matgenix/datalab-item-plugin-example-custom-vue's past year of commit activity
    Vue 0 0 0 0 Updated Sep 24, 2026
  • datalab-item-plugin-example Public

    Example datalab custom item type plugin (annotation-rendered, no JS)

    Matgenix/datalab-item-plugin-example's past year of commit activity
    Python 0 0 0 0 Updated Sep 24, 2026
  • qtoolkit Public
    Matgenix/qtoolkit's past year of commit activity
    Python 12 6 9 0 Updated Sep 21, 2026
  • datalab-jupyter Public
    Matgenix/datalab-jupyter's past year of commit activity
    Python 1 0 0 0 Updated Sep 14, 2026
  • datalab-tool-plugin-template Public
    Matgenix/datalab-tool-plugin-template's past year of commit activity
    Jinja 0 0 0 0 Updated Jul 31, 2026
  • datalab-item-comparison-tool Public
    Matgenix/datalab-item-comparison-tool's past year of commit activity
    JavaScript 0 0 0 0 Updated Jul 31, 2026
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