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

Standardized data set for machine learning of protein structure

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

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

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

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

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

Official repo of the modular BioExcel version of HADDOCK

R client for the OmniPath web service

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

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

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

Open source biolab

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