tristanic

pae_to_domains

Graph-based community clustering approach to extract protein domains from a predicted aligned error matrix

isolde

Interactive molecular dynamics based model building into low-resolution crystallographic and cryo-EM maps

chimerax-clipper

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

async-hello-world

A simple demonstration of the use of C++11 std::async to support threading in a graphical Python environment (i.e. ChimeraX)

casp13-analysis

cctbx_project

Computational Crystallography Toolbox

chimerax-phenix

Interface to Phenix tools for ChimeraX

chimerax-qscore

chimerax-rdkit

Add RDKit functionality to ChimeraX

clipper-python

iris-validation

Package to generate an HTML report of per-residue multi-metric analyses for a model during macromolecular structural validation

nd_interpolation

Fast C++ N-dimensional interpolation on pre-defined data

networkx

Network Analysis in Python

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

ParmEd

Parameter/topology editor and molecular simulator

SATURN

scGPT

Attempt to bring scGPT up-to-date with Python 3.11, PyTorch 2 etc.

tristanic.github.io