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docking

3 repositories

Personal Notes

Python 23 38 Updated Mar 5, 2025

Interaction Fingerprints for protein-ligand complexes and more

Python 389 72 Updated Mar 8, 2025

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.

Jupyter Notebook 265 67 Updated Oct 30, 2023