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1. autoscience_workflow1 autoscience_workflow1 Public

   Snakemake workflow for Autoscience n-heptane model

   Python

2. adlib adlib Public

   Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals

   Python 4 1

3. qe_workflow qe_workflow Public

   snakemake workflow for computing binding energies of adsorbates using Quantum Espresso

   Jupyter Notebook