Workflow interoperability for workflows in materials science
Publication:
Supported workflow engines:
- aiida-workgraph
- Common Workflow Language (only export from python workflow definition to common workflow language)
- executorlib *
- jobflow
- pyiron_base and pyiron_workflow *
Entries marked with * were added after the initial publication of the Python Workflow Definition.
The main components of the Python Workflow Definition are:
The Python Workflow Definition is demonstrated on three example workflows:
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Repositories
- python-workflow-definition Public
Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron
- quantum-espresso-bulk-modulus-workflow Public
Workflow to calculate the equilibrium bulk modulus with the quantum ESPRESSO density functional theory simulation code
- NFDI4Ing-workflow Public Forked from BAMresearch/NFDI4IngScientificWorkflowRequirements
This is a repository to discuss, collect and store the requirements for scientific workflow systems
- example-workflow Public template
Template repository for publishing an interoperable workflow based on the Python Workflow Definition
- pythonworkflow.github.io Public
Redirect to https://pythonworkflow.github.io/python-workflow-definition
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