pyqsar3 1.4.3

SSU Lab Package for PYQSAR

PyQsar3

Description

Welcome to PyQsar3, an upgraded version of pyqsar, which originally worked only with Python 2.7. PyQsar3 is designed to work with Python 3.9 or higher, offering enhanced functionality and features.

Installation

From PyPi

pip install pyqsar3

From GitHub

Firstly, Clone the repository and install:

git clone https://github.com/Chemoinfomatics/pyqsar3.git
cd pyqsar3
pip install .

Commands

• Install: pip install .
• Upgrade: pip install . --upgrade
• Reinstall: pip uninstall pyqsar and pip install .

Usage

For detailed usage instructions, refer to the Pyqsar3R.ipynb file included in this package.

Citation

If you use PyQsar3 in your work, please cite the following paper:

Sinyoug Kim and Kwang-Hwi Cho, PyQSAR: A Fast QSAR Modeling Platform Using Machine Learning and Jupyter Notebook. Bulletin of the Korean Chemical Society, 2019, 40.1: 39-44

Questions

For any further questions or inquiries, feel free to contact us at [e-mail].