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Merge pull request #232 from Exabyte-io/epic/SOF-7623
Epic/SOF-7623
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.gitignore

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# Environments
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.env
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.venv
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.venv*
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env/
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venv/
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ENV/

config.yml

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default:
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packages_common:
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- pandas==1.5.3
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- ase==3.22.1
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- ase==3.25.0
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- ipywidgets
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- plotly>=5.18
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- nbformat>=4.2.0
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- uncertainties==3.1.6
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- jinja2
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- pymatgen-analysis-defects<=2024.4.23
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- mat3ra-made==2025.7.29.post0
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- mat3ra-made==2025.8.1.post1
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# - mat3ra-code
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# - mat3ra-esse
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notebooks:
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- name: create_interface_with_min_strain_zsl.ipynb
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packages_common:
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- plotly>=5.18
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- nbformat>=4.2.0
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packages_python:
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packages_pyodide:
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- mat3ra-esse
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- mat3ra-made
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- name: import_material_from_jarvis_db_entry.ipynb
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packages_common:
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- express-py==2024.2.2.post2
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- mat3ra-esse
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- jarvis-tools
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- munch
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- setuptools
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packages_python:
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packages_pyodide:
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- emfs:/drive/packages/paginate-0.5.6-py3-none-any.whl
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- emfs:/drive/packages/watchdog-2.3.1-py3-none-any.whl
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- name: import_materials_from_files.ipynb
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packages_common:
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- express-py==2024.2.2.post2
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- mat3ra-esse
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- munch
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- setuptools
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packages_python:
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packages_pyodide:
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- emfs:/drive/packages/paginate-0.5.6-py3-none-any.whl
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- emfs:/drive/packages/watchdog-2.3.1-py3-none-any.whl
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- name: create_point_defect.ipynb
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packages_common:
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packages_python:
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packages_pyodide:
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- mat3ra-esse
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- mat3ra-made
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- name: specific_examples
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packages_common:
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- mat3ra-standata

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