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CNN-Binary-Example-DAVIS.ipynb
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2025-04-19
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CNN_CNN-Binary-SARS-CoV-3CL.ipynb
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2025-04-19
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CNN_Transformer_Davis.ipynb
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2025-04-19
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CNN_Transformer_KIBA-gpu.ipynb
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181.4 kB
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2025-04-19
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CNN_Transformer_Kiba.ipynb
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3.7 kB
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2025-04-19
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DeepDTA_Reproduce_KIBA.ipynb
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56.6 kB
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2025-04-19
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Drug_Property_Pred-Ax-Hyperparam-Tune.ipynb
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2025-04-19
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Drug_Property_Pred-Ax-Hyperparam-Tune_MPNN.ipynb
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2025-04-19
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Drug_Property_Prediction_Bacterial_Activity-RDKit2D_MIT_AiCures.ipynb
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Drug_Property_Prediction_Bacterial_Activity.ipynb
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2025-04-19
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GNN_Models_Release_Example.ipynb
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2025-04-19
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MPNN_AAC_Davis.ipynb
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MPNN_AAC_Kiba.ipynb
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MPNN_CNN-Binary-SARS-CoV-3CL.ipynb
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2025-04-19
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MPNN_CNN_Davis.ipynb
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2025-04-19
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MPNN_CNN_Kiba.ipynb
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2025-04-19
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Make-DAVIS-Correlation-Figure.ipynb
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2025-04-19
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Morgan_CNN_Morgan_AAC_Daylight_AAC_DAVIS.ipynb
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2025-04-19
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Morgan_CNN_Morgan_AAC_Daylight_AAC_KIBA.ipynb
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2025-04-19
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Transformer+CNN_BindingDB.ipynb
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2025-04-19
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case-study-I-Drug-Repurposing-for-3CLPro.ipynb
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case-study-II-Virtual-Screening-for-BindingDB-IC50.ipynb
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case-study-III-Drug-Repurposing-with-Customized-Data.ipynb
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case-study-IV-Reproduce_DeepDTA.ipynb
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load_data_tutorial.ipynb
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load_pretraining_models_tutorial.ipynb
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oneliner-3CLpro-finetuning-AID1706.ipynb
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2025-04-19
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oneliner_repurpose_COVID19_Pretrained.ipynb
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2025-04-19
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oneliner_repurpose_LCK_gene.ipynb
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oneliner_repurpose_customized_training_3CLpro_Reproduce_Result.ipynb
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web_ui_gradio.ipynb
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web_ui_gradio_training_datasets.ipynb
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Datasets
Models
