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

Protein Graph Library

A comprehensive library for computational molecular biology

A dependency-free cross-platform swiss army knife for PDB files.

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

An all-atom protein structure dataset for machine learning.

macromolecular crystallography library and utilities

C-library for calculating Solvent Accessible Surface Areas

RiboNucleic Acid (RNA) Language Model

PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

A curated list of awesome computational cryo-EM methods.

PyMOL extension to color AlphaFold structures by confidence (pLDDT).

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

Calculation of interatomic interactions in molecular structures

VSCode Extension for interactively visualising protein structure data in the editor

Predicting protein structure through sequence modeling

A Python framework for structural systems biology

Terminal protein structure viewer — interactive 3D visualization of PDB/mmCIF structures with cartoon ribbons, braille rendering, and Sixel/Kitty graphics

A Julia package to read, write and manipulate macromolecular structures

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