Metadata-Version: 2.3
Name: toxichempy
Version: 0.1.2
Summary: A Python package for computational toxicology workflows
License: MIT
Author: Deepak Kumar Sachan
Author-email: deepaksachan253@gmail.com
Requires-Python: >=3.12
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Dist: ace-tools (>=0.0,<0.1)
Requires-Dist: feature-engine (>=1.8.3,<2.0.0)
Requires-Dist: numpy (>=2.2.4,<3.0.0)
Requires-Dist: openpyxl (>=3.1.5,<4.0.0)
Requires-Dist: pandas (>=2.2.3,<3.0.0)
Requires-Dist: python-dotenv (>=1.0.1,<2.0.0)
Requires-Dist: requests (>=2.32.3,<3.0.0)
Requires-Dist: rich (>=13.9.4,<14.0.0)
Requires-Dist: statsmodels (>=0.14.4,<0.15.0)
Requires-Dist: tqdm (>=4.67.1,<5.0.0)
Requires-Dist: typer (>=0.15.2,<0.16.0)
Description-Content-Type: text/markdown

Current Version: 0.1.2
# 🧪 ToxiChemPy: Computational Framework for Toxicology Research

**ToxiChemPy** is an open-source Python library for **computational and experimental toxicology**.  
It provides tools and workflows for:

- 🔬 Cheminformatics
- 📊 Machine Learning & Statistical Modeling
- 🧠 Toxicity Prediction & Risk Assessment
- ⚙️ Workflow Automation
- 📈 Data Collection & Visualization

This package is designed for researchers working in **toxicology, bioinformatics, cheminformatics**, and **environmental risk assessment**.

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## 📚 Documentation

📖 Full documentation is hosted at:  
👉 [https://toxichempy.readthedocs.io](https://toxichempy.readthedocs.io)

Includes:

- Setup & installation
- Usage examples
- API reference
- CLI guide
- Model deployment info

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## 🚀 Installation

ToxiChemPy is Python 3.12+ compatible.

### ✅ Recommended (via Anaconda):
```bash
conda create -n toxichempy python=3.12
conda activate toxichempy
conda install -c conda-forge rdkit openbabel faiss python-dotenv
pip install toxichempy

