proteins topic

A Python API for the RCSB Protein Data Bank (PDB)

williamgilpin

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

HannesStark

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

octavian-ganea

MoleculeKit: Your favorite molecule manipulation kit

Acellera

Bio4j abstract model and general entry point to the project

bio4j

Standardized data set for machine learning of protein structure

aqlaboratory

A PyTorch framework for prediction of tertiary protein structure

biolib

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.

rdk

Application to assign secondary structure to proteins

PDB-REDO

Mutual Information Tools for protein Sequence analysis in Julia

diegozea