Data used in HybridAL
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资源简介：
Due to file size limitations, the preprocessed data (e.g., `graphs`, `x`, `smiles`, etc.) are not included in the GitHub repository and have been uploaded to Zenodo. Please download the compressed archive and extract it to the project root directory (make sure the `data/` folder is placed at the same level as `main.py`). Original data are from Wang et al.(https://github.com/wangwrx/An-uncertainty-guided-deep-learning-method-facilitates-rapid-screening-of-CYP3A4-inhibitors) and LIT-PCBA(https://drugdesign.unistra.fr/LIT-PCBA/).
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zenodo创建时间：
2026-08-10
