| maintainers: | marcinmiklitz andrewtarzia |
|---|---|
| documentation: | https://pywindowx.readthedocs.io/en/latest/ |
pywindow is a Python package for the analysis of structural properties of
molecular pores (porous organic cages, but also MOFs and
metal-organic cages - see examples directory).
Warning
This package is currently under development and differs from the published pywindow but should work with Python >= 3.9.
pywindow can be installed with pip:
pip install pywindowxTo develop with pywindow, you can clone the repo and use
just and uv
to setup the dev environment:
just setupIf you use pywindow please cite
https://pubs.acs.org/doi/10.1021/acs.jcim.8b00490