bobleesj.utils
bobleesj.utils
is a Python package for sharing utility functions and classes in materials informatics.
Getting started
Formula
to sort, filter, order formula(s).Oliynyk
to parse Oliynyk elemental property database (https://doi.org/10.1016/j.dib.2024.110178).radius
to parse available 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.
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
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.
Acknowledgements
bobleesj.utils
is built and maintained with scikit-package.