{"id":46996080,"url":"https://github.com/pyiron/pyiron_apt","last_synced_at":"2026-03-11T15:17:25.807Z","repository":{"id":272479471,"uuid":"866472855","full_name":"pyiron/pyiron_apt","owner":"pyiron","description":"APT analysis with pyiron","archived":false,"fork":false,"pushed_at":"2025-11-28T12:14:00.000Z","size":2761,"stargazers_count":0,"open_issues_count":2,"forks_count":0,"subscribers_count":2,"default_branch":"main","last_synced_at":"2025-11-30T19:18:58.636Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Jupyter 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[IUC09](https://nfdi-matwerk.de/about/nfdi-matwerk-structure/use-cases/iuc09) NFDI-MatWerk.\n\nA summary of the status quo is provided [here](https://zenodo.org/records/12594062).\n\n### Getting started\n\nCreate an environment with conda:\n\n```\nconda env create -f environment.yml\n```\n\nAfter creating the environment, activate it by\n\n```\nconda activate pyiron_apt\n```\n\nAnd start jupyter lab\n\n```\njupyter lab\n```\n\n### Trying the notebooks\n\n- First download data using `01_download_data.ipynb`, or use your own dataset.\n- Composition Space workflow: `02_workflow_compositionspace.ipynb` contains Composition space workflow.\n- Paraprobe workflow: `03_workflow_paraprobe.ipynb` \n- Mixed workflow: combine both tools `04_mixed_workflow.ipynb`\n\nTIP: Press Tab to use auto-complete to browse through the available options.\n\nThe nodes used in the workflow are available in the `nodes` folder.\nTo add new nodes, and for a tutorial on how to do this, see the [`pyiron_workflow`](https://github.com/pyiron/pyiron_workflow) repository, especially [quickstart](https://github.com/pyiron/pyiron_workflow/blob/main/notebooks/quickstart.ipynb) and [deepdive](https://github.com/pyiron/pyiron_workflow/blob/main/notebooks/deepdive.ipynb).\n\n### Fixing and reporting bugs\n\n- For adding nodes, open a pull request to this repo.\n- To fix bugs, please open an issue, and add a PR to this repo.\n\n### Compositing the scientific workflow\n\n- Please see above.\n\n### TO-DO\n\n- [Enhancement] Set up actions and such with pyiron module template\n- [Bug] `paraprobe_transcoder.py` has wrong imports; which needs to be fixed in the conda package. For the moment, the working file is included here.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpyiron%2Fpyiron_apt","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fpyiron%2Fpyiron_apt","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpyiron%2Fpyiron_apt/lists"}