A Python package for structural analysis of porous molecules.
Project description
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- documentation:
Overview
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).
Installation
pywindow can be installed with pip:
pip install pywindowxDeveloper Setup
To develop with pywindow, you can clone the repo and use just and uv to setup the dev environment:
just setupHow To Cite
If you use pywindow please cite
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