Metadata-Version: 2.4
Name: proqsar
Version: 0.0.5
Summary: ProQSAR — automation utilities for QSAR workflows (standardization, featurization, model building & evaluation).
Project-URL: homepage, https://github.com/Medicine-Artificial-Intelligence/ProQSAR
Project-URL: source, https://github.com/Medicine-Artificial-Intelligence/ProQSAR
Project-URL: issues, https://github.com/Medicine-Artificial-Intelligence/ProQSAR/issues
Project-URL: documentation, https://proqsar.readthedocs.io/en/latest/
Author-email: Tuyet Minh Phan <minh@bioinf.uni-leipzig.de>, Tieu Long Phan <tieu@bioinf.uni-leipzig.de>
License: MIT
License-File: LICENSE
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
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Description-Content-Type: text/markdown

# ProQSAR

Automatic pipeline for QSAR modeling

[![PyPI version](https://img.shields.io/pypi/v/proqsar.svg)](https://pypi.org/project/proqsar/)
[![Conda version](https://img.shields.io/conda/vn/tieulongphan/proqsar.svg)](https://anaconda.org/tieulongphan/proqsar)
[![Docker Pulls](https://img.shields.io/docker/pulls/tieulongphan/proqsar.svg)](https://hub.docker.com/r/tieulongphan/proqsar)
[![Docker Image Version](https://img.shields.io/docker/v/tieulongphan/proqsar/latest?label=container)](https://hub.docker.com/r/tieulongphan/proqsar)
[![License](https://img.shields.io/github/license/Medicine-Artificial-Intelligence/proqsar.svg)](https://github.com/Medicine-Artificial-Intelligence/proqsar/blob/main/LICENSE)
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[![Dependency PRs](https://img.shields.io/github/issues-pr-raw/Medicine-Artificial-Intelligence/proqsar?label=dependency%20PRs)](https://github.com/Medicine-Artificial-Intelligence/proqsar/pulls?q=is%3Apr+label%3Adependencies)
[![Stars](https://img.shields.io/github/stars/Medicine-Artificial-Intelligence/proqsar.svg?style=social&label=Star)](https://github.com/Medicine-Artificial-Intelligence/proqsar/stargazers)


**Toolkit for CADD**
![ProQSAR](https://raw.githubusercontent.com/Medicine-Artificial-Intelligence/ProQSAR/main/doc/fig/proqsar.png)
For more details on each utility within the repository, please refer to the documentation provided in the respective folders.


## Contributing
- [Tuyet-Minh Phan](https://github.com/tuyetminhphan)
- [Tieu-Long Phan](https://Medicine-Artificial-Intelligence.github.io/)
- [Phuoc-Chung Nguyen Van](https://github.com/phuocchung123)


## Publication

[**ProQSAR**]()


## License

This project is licensed under MIT License - see the [License](LICENSE) file for details.

## Acknowledgments

This work has received support from the Korea International Cooperation Agency (KOICA) under the project entitled “Education and Research Capacity Building Project at University of Medicine and Pharmacy at Ho Chi Minh City”, conducted from 2024 to 2025 (Project No. 2021-00020-3).