AlphaFold 3 inference pipeline.

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

WebGL accelerated JavaScript molecular graphics library

📐 Symmetry-corrected RMSD in Python

Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile

Fully automated docking pipeline (can be run in distributed environments)

Glycan Analysis and Glycoinformatics Library for Python

Autoregressive fragment-based diffusion for target-aware ligand design

Research repository for diffusion based structure based drug design

Benchmarking deep learning models generating molecules in 3D

The repository contains code for the project "Explain the uncertain: Stochastic Shapley Values for Gaussian Process Models"

Bokeh extensions to plot molecules easily

LIT-AlphaFold is a modified version of AlphaFold developed in the Laboratoire d'Innovation Thérapeutique (LIT) at the University of Strasbourg.

Code for training OCSVM models for agonist detection

Tutorial on AlphaFold for the Strasbourg Summer School in Chemoinformatics 2024