4 results found Sort:

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
beikwx
SailVina beikwx
35
77
unknown
4
SailVina重构增强版
gui docking autodock-vina
Created 2019-08-23
61 commits to master branch, last one 2 months ago
biocheming
watvina biocheming
12
47
other
2
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
watvina drug-design autodock-vina pharmacophore water-docking molecular-docking
Created 2021-10-29
425 commits to main branch, last one about a month ago
RyanZR
labodock RyanZR
9
31
mit
2
LABODOCK: A Colab-Based Molecular Docking Tools
plip drug-design google-colab autodock-vina cheminformatics molecular-docking virtual-screening
Created 2022-07-19
8 commits to main branch, last one 8 months ago