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 pyqsarandpip 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 chokh@ssu.ac.kr.
1 maintainer
Metadata
1 maintainer
Release files for pyqsar3 1.4.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| pyqsar3-1.4.3.tar.gz | 53.4 kB | Without provenance | Details for pyqsar3-1.4.3.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| pyqsar3-1.4.3-py3-none-any.whl | Python 3 | none | any | Details for pyqsar3-1.4.3-py3-none-any.whl |
Total release size: 109.0 kB
Release files / pyqsar3-1.4.3.tar.gz
| Download URL | pyqsar3-1.4.3.tar.gz |
|---|---|
| Size | 53.4 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.9.18
|
Release files / pyqsar3-1.4.3-py3-none-any.whl
| Download URL | pyqsar3-1.4.3-py3-none-any.whl |
|---|---|
| Size | 55.6 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.9.18
|
Security for pyqsar3 1.4.3
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