3 results found Sort:

rdk
p2rank rdk
31
230
mit
9
P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
pdb java mmcif pymol groovy ligand p2rank proteins binding-sites random-forest bioinformatics drug-discovery protein-surface machine-learning protein-structure virtual-screening molecular-structures protein-ligand-docking structural-bioinformatics protein-ligand-interactions
Created 2016-09-25
1,598 commits to develop branch, last one 2 days ago
paiardin
DockingPie paiardin
12
61
gpl-3.0
4
A Consensus Docking Plugin for PyMOL
pymol ligand molecular pymol-plugin pymol-extension molecular-docking molecular-dynamics molecular-modeling
Created 2022-02-14
134 commits to main branch, last one 19 days ago
lmdu
dockey lmdu
8
47
mit
4
an integrated tool for molecular docking and virtual screening
ligand docking molecule receptor molecular
Created 2021-11-06
347 commits to main branch, last one 10 days ago