2 results found Sort:

LPDI-EPFL
masif LPDI-EPFL
154
582
apache-2.0
23
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
protein-surface molecular-surface geometric-deep-learning
Created 2019-03-14
440 commits to master branch, last one 3 years ago
rdk
p2rank rdk
34
242
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
1,622 commits to develop branch, last one 3 days ago