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    11 repositories

    • molearn

      Public
      protein conformational spaces meet machine learning
      machine-learningprotein-structuremolecular-dynamics
      machine-learningprotein-structuremolecular-dynamicsmolecular-modeling
      Python
      •
      GNU General Public License v3.0
      •18•52•2•4•Updated Mar 26, 2026Mar 26, 2026

    • biobox

      Public
      a toolbox for the manipulation, modelling and analysis of molecular structures
      Python
      •
      GNU General Public License v3.0
      •7•28•0•0•Updated Nov 27, 2025Nov 27, 2025

    • ProteinDensity

      Public
      A method to calculate the density of proteins in explicit water
      Python
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated Jul 4, 2025Jul 4, 2025

    • DensiTree

      Public
      Prediction of protein density
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Jul 4, 2025Jul 4, 2025

    • openmmtorchplugin

      Public
      Torch Integrator plugin for openmm
      SWIG
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Nov 13, 2023Nov 13, 2023

    • molearn_notebook

      Public
      Jupyter notebooks demonstrating molearn usage
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•3•0•0•Updated Jul 13, 2023Jul 13, 2023

    • JabberDock

      Public
      protein docking using a density-based descriptor for atoms charge and dynamics
      Python
      •
      GNU General Public License v3.0
      •10•14•2•0•Updated Nov 17, 2022Nov 17, 2022

    • staged-recipes

      Public
      A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •6.2k•0•0•0•Updated May 30, 2022May 30, 2022

    • biobox_notebook

      Public
      A Jupyter notebook demonstrating Biobox main functionalities
      Python
      •1•2•0•0•Updated May 13, 2022May 13, 2022

    • python4science

      Public
      Jupyter Notebooks of a beginner's course to Python
      Jupyter Notebook
      •3•2•0•0•Updated Dec 2, 2021Dec 2, 2021

    • POW

      Public
      Parallel Optimization Workbench
      Python
      •
      GNU General Public License v3.0
      •2•1•0•0•Updated Jul 18, 2013Jul 18, 2013
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