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README.html

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@@ -367,12 +367,15 @@ <h2> Contents </h2>
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<h1>Python Workflow Definition<a class="headerlink" href="#python-workflow-definition" title="Link to this heading">#</a></h1>
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<p><a class="reference external" href="https://github.com/pythonworkflow/python-workflow-definition/actions/workflows/pipeline.yml"><img alt="Pipeline" src="https://github.com/pythonworkflow/python-workflow-definition/actions/workflows/pipeline.yml/badge.svg" /></a>
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<a class="reference external" href="https://mybinder.org/v2/gh/pythonworkflow/python-workflow-definition/HEAD"><img alt="Binder" src="https://mybinder.org/badge_logo.svg" /></a>
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<a class="reference external" href="https://arxiv.org/abs/2505.20366"><img alt="arXiv" src="https://img.shields.io/badge/arXiv-2505.20366-b31b1b.svg" /></a>
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<a class="reference external" href="https://doi.org/10.5281/zenodo.15516179"><img alt="DOI" src="https://zenodo.org/badge/945869529.svg" /></a></p>
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<section id="definition">
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<h2>Definition<a class="headerlink" href="#definition" title="Link to this heading">#</a></h2>
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<p>In the Python Workflow Definition (PWD) each node represents a Python function, with the edges defining the connection
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between input and output of the different Python functions.</p>
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<p>Publication:</p>
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<ul class="simple">
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<li><p><a class="reference external" href="https://doi.org/10.1039/D5DD00231A">J. Janssen, J. George, J. Geiger, M. Bercx, X. Wang, C. Ertural, J. Schaarschmidt, A.M. Ganose, G. Pizzi, T. Hickel and J. Neugebauer. A python workflow definition for computational materials design. Digital Discovery, 2025</a></p></li>
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</ul>
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</section>
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<section id="format">
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<h2>Format<a class="headerlink" href="#format" title="Link to this heading">#</a></h2>

_sources/README.md

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# Python Workflow Definition
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[![Pipeline](https://github.com/pythonworkflow/python-workflow-definition/actions/workflows/pipeline.yml/badge.svg)](https://github.com/pythonworkflow/python-workflow-definition/actions/workflows/pipeline.yml)
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[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/pythonworkflow/python-workflow-definition/HEAD)
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[![arXiv](https://img.shields.io/badge/arXiv-2505.20366-b31b1b.svg)](https://arxiv.org/abs/2505.20366)
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[![DOI](https://zenodo.org/badge/945869529.svg)](https://doi.org/10.5281/zenodo.15516179)
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## Definition
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In the Python Workflow Definition (PWD) each node represents a Python function, with the edges defining the connection
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between input and output of the different Python functions.
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Publication:
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* [J. Janssen, J. George, J. Geiger, M. Bercx, X. Wang, C. Ertural, J. Schaarschmidt, A.M. Ganose, G. Pizzi, T. Hickel and J. Neugebauer. A python workflow definition for computational materials design. Digital Discovery, 2025](https://doi.org/10.1039/D5DD00231A)
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## Format
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Each workflow consists of three files, a Python module which defines the individual Pythons, a JSON file which defines
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the connections between the different Python functions and a conda environment file to define the software dependencies.

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