Skip to content

@wolberlab Molecular Design lab

Change the repository type filter

All

    Repositories list

    7 repositories

    • OpenMMDL

      Public
      Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
      Python
      •
      MIT License
      •23•171•24•4•Updated May 3, 2026May 3, 2026

    • mdpath

      Public
      MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral angle movements throughout…
      Python
      •
      MIT License
      •8•29•1•0•Updated Apr 26, 2026Apr 26, 2026

    • AI_teaching

      Public
      Teaching material for an 8th-semester pharmacy course at the FU Berlin on ligand based ML in computer aided drug design, with practical examples for preparing m…
      Jupyter Notebook
      •2•1•0•0•Updated Dec 4, 2025Dec 4, 2025

    • polaris_antiviral_challenge

      Public
      Data for the Polaris Antiviral Drug Discovery 2025 Challenge
      Jupyter Notebook
      •0•0•0•0•Updated Nov 6, 2025Nov 6, 2025

    • pyrod

      Public
      PyRod - Tracing water molecules in molecular dynamics simulations
      python3molecular-dynamics-simulationwater
      python3molecular-dynamics-simulationwaterpharmacophore
      Python
      •
      GNU General Public License v2.0
      •8•58•6•1•Updated Oct 31, 2025Oct 31, 2025

    • dynophores

      Public
      Dynamic pharmacophore modeling of molecular interactions
      Promela
      •
      MIT License
      •8•43•11•1•Updated Apr 26, 2024Apr 26, 2024

    • europin-website

      Public
      CSS
      •
      GNU General Public License v3.0
      •0•3•0•0•Updated Sep 14, 2023Sep 14, 2023
    ProTip! When viewing an organization's repositories, you can use the props. filter to filter by custom property.