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@Matgenix

Matgenix

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Python
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Location 🇧🇪 Belgium
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Python
158

pysisso

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

jobflow-remote

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

turbomoleio

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.

qtoolkit

atomate2-lammps

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

atomate2-addon-template

A template for writing add-on namespace packages for atomate2