molactivity

Name	molactivity JSON
Version	3.0 JSON
	download
home_page	https://github.com/NATSCREEN/molactivity
Summary	Molecular activity prediction using transformer neural networks with 5 operational modes
upload_time	2025-07-08 10:37:02
maintainer	None
docs_url	None
author	Dr. Jiang at BTBU
requires_python	>=3.8
license	MIT
keywords	molecular-activity machine-learning transformer neural-networks natural-products drug-discovery cheminformatics bioinformatics smiles molecular-modeling deep-learning pharmaceutical chemical-analysis molecular-descriptors qsar drug-development
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # Molactivity 3.0

![License](https://img.shields.io/badge/license-MIT-blue.svg)
![Python](https://img.shields.io/badge/python-3.8%2B-blue.svg)
![Status](https://img.shields.io/badge/status-stable-green.svg)
![PyPI](https://img.shields.io/badge/pypi-v3.0-blue.svg)

**Advanced Molecular Activity Prediction Toolkit** 
- Multi-mode molecular property prediction platform based on Transformer neural networks.

1. Quick Start

```bash
pip install molactivity[all]
```

2. Full Documentation

For complete installation guides, usage examples, scripts, and documentation, please visit our official website:

**   molactivity.com (http://molactivity.com)   **

3. Five Modes Available

- **Standard Mode**: Pure Python implementation
- **Fast Mode**: NumPy optimization  
- **Rocket Mode**: PyTorch deep learning
- **Image Mode**: Molecular image processing
- **Tools Mode**: Analysis utilities

            

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