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.
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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Updated
Oct 30, 2023 - Jupyter Notebook