人工智能辅助药物设计工具集合

🚀 MAZE AI is an auxiliary drug design tool that integrates various artificial intelligence technologies, aimed at providing researchers with efficient and convenient drug design solutions.

For a quick installation of MAZE AI, follow the steps below:

pip install mazeai
pytest tests  # 测试包

For development instructions, please refer to the following:

git clone https://github.com/zhaisilong/mazeai.git
cd mazai
pip install -e .

In the notebook directory, various tutorials on scientific research and coding tools are provided to help users quickly get started.

We extend our gratitude to all the developers and researchers who have contributed to MAZE AI. Your efforts have made this tool more robust and powerful.

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• zhaisilong: [email protected]