Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: protein-surface

rdk/p2rank

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.

Language: Groovy - Size: 365 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 216 - Forks: 32

LPDI-EPFL/masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

Language: Python - Size: 91.5 MB - Last synced: 8 months ago - Pushed: about 3 years ago - Stars: 479 - Forks: 138

Related Keywords
protein-surface 2 molecular-surface 1 geometric-deep-learning 1 virtual-screening 1 structural-bioinformatics 1 random-forest 1 pymol 1 proteins 1 protein-structure 1 protein-ligand-interactions 1 protein-ligand-docking 1 pdb 1 p2rank 1 molecular-structures 1 mmcif 1 machine-learning 1 ligand 1 java 1 groovy 1 drug-discovery 1 bioinformatics 1 binding-sites 1