toxichempy 0.1.3

A Python package for computational toxicology workflows

Current Version: 0.1.3

🧪 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

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):

conda create -n toxichempy python=3.12
conda activate toxichempy
conda install -c conda-forge rdkit openbabel faiss python-dotenv
pip install toxichempy