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  1. pysisso pysisso Public archive

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

    Python 52 21

  2. jobflow-remote jobflow-remote Public

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

    Python 25 11

  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 19 9

  4. qtoolkit qtoolkit Public

    Python 11 5

  5. atomate2-lammps atomate2-lammps Public archive

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

    Python 8 1

  6. pymatgen-io-lammps pymatgen-io-lammps Public

    Python 7

Repositories

Showing 10 of 16 repositories
  • matminer Public Forked from hackingmaterials/matminer

    Data mining for materials science

    Matgenix/matminer’s past year of commit activity
    HTML 1 197 0 0 Updated Nov 4, 2024
  • 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.

    Matgenix/turbomoleio’s past year of commit activity
    Python 19 GPL-3.0 9 11 2 Updated Nov 4, 2024
  • 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 25 11 30 5 Updated Nov 1, 2024
  • modnet Public Forked from ppdebreuck/modnet

    MODNet: a framework for machine learning materials properties

    Matgenix/modnet’s past year of commit activity
    Jupyter Notebook 0 MIT 34 0 9 Updated Oct 30, 2024
  • tensorflow Public Forked from tensorflow/tensorflow

    An Open Source Machine Learning Framework for Everyone

    Matgenix/tensorflow’s past year of commit activity
    C++ 0 Apache-2.0 90,686 0 0 Updated Oct 30, 2024
  • atomate2-turbomole Public

    Workflows for Turbomole

    Matgenix/atomate2-turbomole’s past year of commit activity
    Python 4 0 1 7 Updated Oct 29, 2024
  • atomate2-addon-template Public template

    A template for writing add-on namespace packages for atomate2

    Matgenix/atomate2-addon-template’s past year of commit activity
    Python 1 0 1 2 Updated Oct 28, 2024
  • qtoolkit Public
    Matgenix/qtoolkit’s past year of commit activity
    Python 11 5 8 2 Updated Oct 9, 2024
  • pysisso Public archive

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

    Matgenix/pysisso’s past year of commit activity
    Python 52 21 16 0 Updated Apr 24, 2024
  • 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 17 0 0 Updated Apr 21, 2024

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