- maintainers:
- documentation:
- discord:
Overview
stko-lite is a light-weight version of stko with mostly the same functionality.
stko is a Python library for performing optimizations and calculations on complex molecules built using stk. In the case of optimizations, a clone of stk.Molecule is returned. For calculators, a Results class are used to calculate and extract properties of an stk.Molecule. There is a Discord server for stk, which can be joined through https://discord.gg/zbCUzuxe2B.
Installation
To get stko, you can install it with pip:
pip install stko-liteSome optional dependencies are only available through conda:
# for gfn-ff with topology constrains
# This will not work on Windows at this stage
# (https://pprcht.github.io/gfnff/python.html)
pip install gfnffDeveloper Setup
How To Contribute
If you have any questions or find problems with the code, please submit an issue.
If you wish to add your own code to this repository, please send us a Pull Request. Please maintain the testing and style that is used throughout `stko.
How To Cite
If you use stko please cite
Acknowledgements
We developed this code when working in the Jelfs group, http://www.jelfs-group.org/, whose members often provide very valuable feedback, which we gratefully acknowledge.
1 maintainer
Metadata
1 maintainer
Release files for stko-lite 2026.10.14.0
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| stko_lite-2026.10.14.0-py3-none-any.whl | Python 3 | none | any | Details for stko_lite-2026.10.14.0-py3-none-any.whl |
Total release size: 21.8 MB
Release files / stko_lite-2026.10.14.0.tar.gz
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