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1. LigandNet LigandNet Public

   LigandNet, a tool which combines different machine learning models into one platform for the prediction of the state of the ligands either actives or inactives for a particular proteins.

   Jupyter Notebook 1 8

2. CADD-Automated-Workflow CADD-Automated-Workflow Public

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3. pk_extractor pk_extractor Public

   This module will be extracting pharmacokinetic properties from pdf, html and xml files.

   Jupyter Notebook

4. CADD-Workflows CADD-Workflows Public

   Forked from ravila4/CADD-Workflows

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5. DLSCORE_test DLSCORE_test Public

   This repository makes some adjustments on files that are going to be tested by the actual DLSCORE

6. smina_docking smina_docking Public

   Here are the results after docking some of the proteins (receptors) from the DUD-E dataset with ligands, both active and decoys.