{"repo":"pythonworkflow/python-workflow-definition","free":true,"listed":false,"github":"https://github.com/pythonworkflow/python-workflow-definition","clone":"git clone https://github.com/pythonworkflow/python-workflow-definition.git","description":"Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron","language":"Jupyter Notebook","stars":19,"topics":["workflow","aiida","jobflow","pyiron"],"license":"BSD-3-Clause","category":"workflow-automation","readme_excerpt":"Python Workflow Definition Definition In the Python Workflow Definition (PWD) each node represents a Python function, with the edges defining the connection between input and output of the different Python functions. Published in: 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 Format Each workflow consists of three files, a Python module which defines the individual Pythons, a JSON file which defines the connections between the different Python functions and a conda environment file to define the software dependencies. The files are not intended to be human readable, but rather interact as a machine readable exchange format between the different workflow engines to enable interoperability. Installation The Python Workflow Definition can either be installed via pypi or via conda. For the pypi installation use: For the conda installation via the conda-forge community channel use: Examples Simple Example As a first example we define two Python functions which add multiple inputs: These two Python functions are combined in the following example workflow: For the workflow representation of these Python functions the Python functions are stored in the example workflows/arithmetic/workflow.py Python module. The connection of the Python functions are stored in the example workflows/arithmetic/workflow.json JSO","default_branch":null,"files":null,"tree":[],"storefront":"/r/pythonworkflow","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/pythonworkflow/python-workflow-definition/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}