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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
wlsong
PyLipID wlsong
28
60
mit
3
A python toolkit for analysing membrane protein-lipid interactions.
koff binding-sites lipid-interactions molecular-modeling
Created 2019-10-24
531 commits to master branch, last one 2 years ago