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AngelRuizMoreno/Jupyter_Dock
Docking and protein-ligand modelingGitHubsource codeautodockautodock-vinacheminformaticscomputational-biologydrug-designdrug-discoverydrug-repurposingjupyter-notebookledock
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.
Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 278 stars, 69 forks, primary language: Jupyter Notebook.
Citation: GitHub repository: AngelRuizMoreno/Jupyter_Dock