DrugDesign

DeepSeek + DrugsDesign

Data Resources

数据来源建议：

• 蛋白结构：RCSB PDB

• 化合物数据：ChEMBL

• ADMET预测：SwissADME

Install Environment Dependencies

pip install pandas rdkit scikit-learn matplotlib

需要单独安装：

• AutoDock Vina (http://vina.scripps.edu/)
• Open Babel (http://openbabel.org/wiki/Main_Page)

License

This project is available under the MIT License.

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