GPU-accelerated template matching for cryo-ET

STOPGAP is a MATLAB-based package for subtomogram averaging.

Diffusion model for transition state prediction

Foldseek enables fast and sensitive comparisons of large structure sets.

Interfacing RDKit and AutoDock

Official repo of the modular BioExcel version of HADDOCK

Complex-based Ligand-Binding Proteins Redesign by Equivariant Diffusion-based Generative Models

PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference

Introduction to cyclic peptide simulations and our group's protocols.

ColabFold on your local PC

Analysis scripts and data for the manuscript "Simultaneous Enhancement of Multiple Functional Properties Using Evolution-informed Protein Design"

The Swiss Army Knife for Editing Relion .STAR Files

Python tool for visualising and interacting with cryo-ET and subtomogram averaging data.

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.

Screen interactions with AlphaFold-Multimer

psi4+RDKit

ArtiaX is an open-source extension of the molecular visualisation program ChimeraX.

Jupyter-based tool for membrane segmentation manipulation

Self-supervised deep learning for denoising and missing wedge reconstruction of cryo-ET tomograms

Plug-and-Play deep learning for image segmentation of large-scale microscopy data

membrane segmentation in 3D for cryo-ET

segmentation of spherical vesicles in cryo-electron tomography