Prerequirment ambertool(including antichamber and tleap)
Deep learning-based protein-ligand binary classifier
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in the code/ folder, the deep_learn_rob_residual_zhpxxx_n_test_0.2.py was used to load the data and model.
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in the data_process_script/ folder, some data preprocess script were provided
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in the model/ folder, the final trained model is deposited.
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in the example/ folder, a example was provided, and with a readme.txt file for detailed illustration.
Online version is on http://cbblab.siat.ac.cn/DeepBindBC/index.php