Perhaps the smallest useful terminal multiplexer in the world.

Multi-User Tmux Made Easy

text window manager, shell multiplexer, integrated DevOps environment

Workshops on Computational Biology organized by our lab

Analysis of changes in dynamic frustration during RfaH refolding in SBM simulations

GitHub for AI4PD 2023 Workshop in Chile

Biology of the Cell

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

Molecular design framework the merges generative AI and molecular docking

Fraction of Common Contacts Clustering Algorithm for Protein Structures

Molecular Modelling and Simulation Course

Encode information from a HADDOCK run to a cif file to be deposited in PDB-Dev.

Data for performing HADDOCK2.4 protocols

Data files for the molecular modelling course

Material to run the HADDOCK antibody-antigen modelling protocol

Graph Network for protein-protein interface including language model features

Protein-peptide HADDOCK-ready docking benchmark

Prediction of Protein-Small molecule binding affinities

Generate restraints to be used in HADDOCK

Run large scale HADDOCK simulations using multiple input molecules in different scenarios

Official repo of the modular BioExcel version of HADDOCK

A tutorial on free energy simulations using the GROMACS software

Advanced tutorial for the GROMOS software for biomolecular simulation

Main repository of SageMath

Read-across the targetome

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315