marcinmiklitz / pywindow Goto Github PK View Code? Open in Web Editor NEW 21.0 21.0 8.0 10 MB pywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and molecular dynamics trajectories of these. License: MIT License Python 99.98% Batchfile 0.01% Shell 0.01% Introduction ยท People ยท Discuss
Some examples fail to calculate windows. I assume this is an issue with a change in sci-kit learn. Broken example systems: NUXHIZ BATVUP Using: Python 3.11, scikit-learn 1.4.1.post1 scipy 1.12.0
Project name mismatch: here ity is called "pywindow" and on PyPI it is called "pywindowx" https://pypi.org/project/pywindowx/ When packages are created for various systems, this would cause confusion, and some packages will be named "pywindow" and others - "pywindowx".
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