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@Lorenz-Lab-KCL

Lorenz Lab

We are a group of talented and hard working scientists who are passionate about developing and applying state-of-the-art molecular scale simulation techniques t

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  1. Molecular-Dynamics Molecular-Dynamics Public

    This repository is for storing scripts for carrying out general MD analysis that you have used and might be useful for other members of the group.

    Python 1 1

  2. nanoCISC nanoCISC Public

    Python analysis code to calculate the intrinsic density profiles of quasi-spherical nanoparticles

    Python 1 1

  3. polymer_db polymer_db Public

    This repository stores the results and the analysis of a polymer_db

    Python 1 1

  4. pysoftk_summer_project pysoftk_summer_project Public

    1

  5. mdanalysis mdanalysis Public

    Forked from MDAnalysis/mdanalysis

    MDAnalysis is a Python library to analyze molecular dynamics trajectories.

    Python

  6. blog blog Public

    Blog Related Code Submissions

    Python 2

Repositories

Showing 10 of 23 repositories
  • pol_new_anton Public

    Polymer investigation

    Lorenz-Lab-KCL/pol_new_anton’s past year of commit activity
    Python 0 0 0 0 Updated Jul 30, 2024
  • publications Public

    Repository for files for building systems (forcefield files that are not generally available, packmol, ..), running simulations (e.g. mdp, top, gro), and specific analysis scripts.

    Lorenz-Lab-KCL/publications’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Jul 3, 2024
  • rna_to_dna Public

    Code to convert an rna sequence to a dna sequence

    Lorenz-Lab-KCL/rna_to_dna’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 29, 2024
  • fitting_torsional Public

    program fitting potential

    Lorenz-Lab-KCL/fitting_torsional’s past year of commit activity
    Python 0 0 0 0 Updated Mar 28, 2024
  • full_pysoftk Public

    full pysoftk

    Lorenz-Lab-KCL/full_pysoftk’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jan 4, 2024
  • polymer_db Public

    This repository stores the results and the analysis of a polymer_db

    Lorenz-Lab-KCL/polymer_db’s past year of commit activity
    Python 1 1 0 0 Updated Nov 6, 2023
  • new_polymers_vienna Public

    Repository storing the relaxed positions of the new polymers for the collaboration.

    Lorenz-Lab-KCL/new_polymers_vienna’s past year of commit activity
    0 0 0 0 Updated Oct 26, 2023
  • kurf_2023 Public

    KURF project creating a Deep Graph Attention Network and Encoder Decoder to calculate HOMO & LUMO values by Kourosh Zarei.

    Lorenz-Lab-KCL/kurf_2023’s past year of commit activity
    Python 0 0 0 0 Updated Oct 16, 2023
  • submission_scripts Public
    Lorenz-Lab-KCL/submission_scripts’s past year of commit activity
    Shell 0 0 0 0 Updated Sep 27, 2023
  • format_transform Public

    Python package to transform different formats.

    Lorenz-Lab-KCL/format_transform’s past year of commit activity
    Python 0 0 0 0 Updated Jun 18, 2023
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