├── README.pm ├── code ├── DLEPS │ ├── DLEPS_tutorial.ipynb │ ├── Training.ipynb │ ├── dleps_predictor.py │ ├── driv_DLEPS.py │ ├── models │ │ ├── __init__.py │ │ ├── __pycache__ │ │ │ ├── __init__.cpython-37.pyc │ │ │ └── model_zinc.cpython-37.pyc │ │ ├── model_zinc.py │ │ ├── model_zinc_str.py │ │ └── utils.py │ ├── molecule_vae.py │ ├── run_script │ ├── run_script.ipynb │ ├── utils.py │ ├── vectorized_cmap.py │ └── zinc_grammar.py ├── Preprocess │ ├── d3680_CKD.R │ └── preprocess.ipynb ├── analysis_plot │ ├── Browning_ScoreMap.ipynb │ ├── FP_tSNE_TrainingTestFdaNp.ipynb │ └── NASH_ScoreMap.ipynb └── run └── data ├── BROWNING_down ├── BROWNING_up ├── Brief_FDA-Approved-Drug_961 ├── Brief_Targetmol_natural_product_2719 ├── Browning_Expert_DOWN ├── Browning_Expert_UP ├── FIBROSIS_down ├── FIBROSIS_up ├── HUA_down ├── HUA_up ├── NASH_III_down ├── NASH_III_up ├── NASH_IV_down └── NASH_IV_up /README.pm: -------------------------------------------------------------------------------- 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