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Currently, the one-to-many and many-to-one relationship are implemented as demonstrated by the energy volume curve example. There are still a couple of things missing:
dynamically modified workflows - for example a while-loop which adds steps until the condition is fulfilled.
computational resources - to submit jobs to high performance computing clusters
conda environment - dependencies of the workflow can vary from one node to another
nested workflow structures - while the workflow frameworks have names for this functionality, most provide the option to nest workflow structures
Activity
jan-janssen commentedon Mar 16, 2025
Similar discussions:
pyiron_workflow-independent dict containing workflow info pyiron/pyiron_workflow#576[-]Extension of the JSON format[/-][+][Suggestion] Extension of the JSON format[/+]jan-janssen commentedon Jul 18, 2025
A general overview of the logical patterns required for workflows is available at https://github.com/common-workflow-library/cwl-patterns/tree/main/workflow_patterns_initiative
jan-janssen commentedon Oct 22, 2025
We started to work on while loops in https://github.com/jan-janssen/pwd-recursive-while