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@AG-Peter AG-Peter

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    12 repositories

    • encodermap

      Public
      python library for dimensionality reduction
      pythondata-sciencemachine-learning
      pythondata-sciencemachine-learningneural-networktensorflowmolecular-dynamicsautoencoderdimensionality-reduction
      Python
      •
      GNU Lesser General Public License v3.0
      •11•34•0•1•Updated Jul 6, 2026Jul 6, 2026

    • masters_metadynamics

      Public
      Mater's project on ligand binding of Pyrrolysine-tRNA Synthetase using metadynamics
      Jupyter Notebook
      •0•0•0•0•Updated Oct 23, 2025Oct 23, 2025

    • Clustering_Networks

      Public
      Jupyter Notebook
      •
      Apache License 2.0
      •0•3•0•0•Updated Aug 21, 2025Aug 21, 2025

    • H1Ub_in_chromatosomes

      Public
      Repository with code and analysis files for computationally modelling and fitting H1Ub in chromatosomes.
      Jupyter Notebook
      •
      GNU Lesser General Public License v2.1
      •0•0•0•0•Updated Mar 30, 2025Mar 30, 2025

    • gmw4nhr

      Public
      GNU General Public License v3.0
      •0•0•0•0•Updated Mar 12, 2024Mar 12, 2024

    • cleanup_sims

      Public
      Cleans up your messy MD simulations.
      0•0•0•0•Updated Feb 5, 2023Feb 5, 2023

    • BMBS_of_tri-ubiquitin

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 1, 2023Feb 1, 2023

    • BMBS-Workflow-v1

      Public
      Contains the scripts of the BMBS workflow described in Nicolas Schneider's Master Thesis
      Python
      •0•0•0•0•Updated Aug 29, 2022Aug 29, 2022

    • Ub_dimers_sPRE_XPLOR

      Public
      Jupyter Notebook
      •
      GNU Lesser General Public License v2.1
      •0•0•0•0•Updated Aug 15, 2022Aug 15, 2022

    • workshop_python_modules

      Public
      Workshop for group retreat 2019 which shows how to create python modules and packages.
      Jupyter Notebook
      •0•0•0•0•Updated Mar 16, 2019Mar 16, 2019

    • workshop_OpenMM

      Public
      OpenMM workshop
      HTML
      •
      MIT License
      •2•1•0•0•Updated Mar 15, 2019Mar 15, 2019

    • python-MD

      Public
      Learning python while writing a very very simple MD-code
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•2•0•0•Updated Apr 27, 2018Apr 27, 2018
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