3 results found Sort:

rdk
p2rank rdk
34
250
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
1,664 commits to develop branch, last one 24 hours ago
paiardin
DockingPie paiardin
13
63
gpl-3.0
5
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 4 months ago
lmdu
dockey lmdu
9
55
mit
4
an integrated tool for molecular docking and virtual screening
ligand docking molecule receptor molecular
Created 2021-11-06
352 commits to main branch, last one about a month ago