Chai-1, SOTA model for biomolecular structure prediction

WebGL accelerated JavaScript molecular graphics library

✨ Making your shell magical

Automated model-building pipeline for X-ray crystallography and cryo-EM

Vectorizable implementations of some mathematical functions

High performance, tagged binary data specification

A single header standard C++ serialization framework.

Generate stubs for python modules

Structure refinement and validation for crystallography and single particle analysis

🎡 Build Python wheels for all the platforms with minimal configuration.

dictionary of monomers and links

🆔 The easy-to-use OpenStreetMap editor in JavaScript.

nanobind: tiny and efficient C++/Python bindings

This is an online course where you can learn and master the skill of low-level performance analysis and tuning.

Compare two descriptions of crystal structures to see if the have the same underlying structure

Fast and exact implementation of the C++ from_chars functions for number types: 4x to 10x faster than strtod, part of GCC 12, MySQL, Chromium, Redis and WebKit/Safari

Shroud: generate Fortran and Python wrappers for C and C++ libraries

Standardized data set for machine learning of protein structure

RI is a general purpose algorithm for one-to-one exact subgraph isomorphism problem maintaining topological constraints.

Protein Shape Description and Symmetry Detection

Tools for exploring reciprocal space

A CIF file finalizer for small molecule crystallography with as much automation as possible.

Vagabond - structure refinement from scratch

Clipper plugin to ChimeraX, for handling of crystallographic maps and symmetry

Don Cromer's code for calculating atomic form factors

CodeQL: the libraries and queries that power security researchers around the world, as well as code scanning in GitHub Advanced Security

Global alignment and alignment extension