QMzyme๏ƒ

๐Ÿ–‹๏ธ Authors: QMzyme authors
๐Ÿ  Project home: https://github.com/Klem-Research-Group/QMzyme/
๐Ÿ“– Documentation: https://qmzyme.readthedocs.io/
โš–๏ธ License: MIT License
๐Ÿ”‘ Keywords: theozyme, compuzyme, cluster, active-site, biocatalysis, enzyme-mechanisms, quantum-mechanics, QM-input
๐Ÿงช Tests (latest): QMzyme develop CI status
๐Ÿงช Tests (develop): QMzyme develop CI status
Description:
QM-based enzyme model generation and validation.

Installation instructions๏ƒ

The source code of QMzyme can be installed using the following:

pip install git+https://github.com/Klem-Research-Group/QMzyme@main