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AngelRuizMoreno
Jupyter_Dock AngelRuizMoreno
66
248
mit
11
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.
rdkit ledock protein py3dmol autodock openbabel mdanalysis drug-design autodock-vina drug-discovery cheminformatics drug-repurposing jupyter-notebook molecular-docking protein-structure computational-biology
Created 2021-09-10
29 commits to main branch, last one 2 years ago
Valdes-Tresanco-MS
AMDock Valdes-Tresanco-MS
16
59
gpl-3.0
3
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
vina pymol amdock docking scoring autodock autodock4zn
Created 2018-02-20
310 commits to master branch, last one 11 months ago