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zhangdachuanfoodies / 3D-MIL-QSAR

Python source code for 3D/MI/QSAR models

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3D-MIL-QSAR

Python source code for 3D/MI/QSAR models

This repository containes the Python source code from paper "Large-scale comparison of single and ensemble conformation QSAR models for predicting the biological activity of compounds."

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Python source code for 3D/MI/QSAR models

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Language:Jupyter Notebook 58.3%Language:Python 41.7%