Skip to content

Popular repositories Loading

  1. pysisso pysissoPublic archive

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

    Python 64 20

  2. jobflow-remote jobflow-remotePublic

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

    Python 40 22

  3. turbomoleio turbomoleioPublic

    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_schoolPublic

    Jupyter Notebook 14

  5. qtoolkit qtoolkitPublic

    Python 12 5

  6. atomate2-lammps atomate2-lammpsPublic archive

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

    Python 9 1

Repositories

Showing 10 of 25 repositories

Top languages

Loading…

Most used topics

Loading…