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Top 2 drug-repurposing open source projects

Computational Analysis of Novel Drug Opportunities

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python Jupyter Notebook machine-learning bioinformatics shotgun biomedical-informatics drug-discovery drug-repurposing docking drug-design multitarget

Jupyter Dock

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

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Jupyter Notebook cheminformatics protein-structure jupyter-notebook computational-biology protein drug-discovery drug-repurposing rdkit openbabel drug-design mdanalysis autodock ledock molecular-docking autodock-vina py3dmol

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