bobleesj.utils

bobleesj.utils is a Python package for sharing utility functions and classes in materials informatics.

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Last updated July 03, 2025.

Installation

To install bobleesj.utils, you can use pip or conda:

$ pip install bobleesj.utils

If you prefer using conda, you can install it from the conda-forge channel:

$ conda install bobleesj.utils

Getting started

Classes:

  • Use ElementSorter to sort elements in many way

  • Use Formula to sort, filter, order formula(s).

Data sources:

  • Oliynyk to work with the Oliynyk elemental property data.

  • mendeleev to get the Mendeleev number for each element.

  • radius to get the atomic radii for each element.

  • Element to prevent typos in writing element symbols and names.

  • ptable to parse the atomic number, atomic mass, element, and the name.

  • folder to work with folders and files, used in CLI apps.

Citations

If you use the Oliynyk module in your research, please cite the https://doi.org/10.1016/j.dib.2024.110178.

How to contribute

Would you like to request new features? Please open issue on GitHub. Before you make a pull request, consider running pre-commit run --all-files to check the code style and formatting.

Contributors

  • Sangjoon Bob Lee (@bobleesj) - Maintainer

  • Danila Shiryaev (@dshirya) - Oliynyk elemental property data

  • Anton Oliynyk (@oliynyklab) - Oliynyk elemental property data

  • Emil Jaffal (@emiljaffal) - CIF radius interpolation

Acknowledgements

bobleesj.utils is built and maintained with scikit-package.