/tools/Jupyter_Dock

Jupyter_Dock

AngelRuizMoreno/Jupyter_Dock

275 stars70 forksJupyter NotebookAdded February 4, 2026
summary

Jupyter Dock is a collection of Jupyter Notebooks that facilitate interactive molecular docking protocols, allowing users to visualize, convert file formats, and analyze docking results. It supports various docking methods and provides comprehensive protocols for different docking scenarios.

description

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.

topics

molecular-dockingautodockautodock-vinaledockmdanalysisrdkitopenbabelcheminformaticscomputational-biologyjupyter-notebookpy3dmolproteinprotein-structuredrug-discoverydrug-repurposingdrug-design

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