Standardized data set for machine learning of protein structure

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

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

Diffusion models of protein structure; trigonometry and attention are all you need!

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

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.

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

MoleculeKit: Your favorite molecule manipulation kit

A PyTorch framework for prediction of tertiary protein structure

Application to assign secondary structure to proteins

sensitive and precise assembly of short sequencing reads

Bio4j abstract model and general entry point to the project

Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation

Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax

Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

R client for the OmniPath web service

A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).

Official repo of the modular BioExcel version of HADDOCK

Open source biolab