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@cbc-univie

Institute of Computational Biological Chemistry

README.md

Hi there 👋

Welcome to the Institute of Computational Biological Chemistry.

Here you can find different packages, files and more!

Have a look at our webpage for more information: https://www.mdy.univie.ac.at

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  1. FFGenOpt FFGenOpt Public

    Rich Text Format 1 2

  2. polarizabilities_prediction polarizabilities_prediction Public

    Atomic polarizabilities for ionic liquids

    Python 1

Repositories

Showing 10 of 11 repositories
  • cluster-monitoring Public
    cbc-univie/cluster-monitoring’s past year of commit activity
    Python 2 MIT 0 0 2 Updated Dec 23, 2024
  • protex Public

    Proton exchange in solvent molecules using openMM

    cbc-univie/protex’s past year of commit activity
    Python 8 MIT 0 0 7 Updated Nov 29, 2024
  • useful_scripts Public
    cbc-univie/useful_scripts’s past year of commit activity
    Python 0 1 0 1 Updated Sep 11, 2024
  • mdy-newanalysis-package Public

    newanalysis contains all our homebrew functions for MDAnalysis

    cbc-univie/mdy-newanalysis-package’s past year of commit activity
    C 0 0 0 0 Updated Sep 4, 2024
  • transformato Public

    Set up relative free energy calculations using a common scaffold

    cbc-univie/transformato’s past year of commit activity
    Python 22 MIT 5 4 1 Updated Aug 22, 2024
  • FFGenOpt Public
    cbc-univie/FFGenOpt’s past year of commit activity
    Rich Text Format 1 2 0 0 Updated Jun 10, 2023
  • mdy-newanalysis-package-testdata Public
    cbc-univie/mdy-newanalysis-package-testdata’s past year of commit activity
    Python 0 MIT 0 0 0 Updated May 19, 2023
  • TEAPUN Public Forked from almarashi95/TEAPUN

    ToolExtensionAssemblingPolymersforUsageinNVT-Simulations: Python Utility using charmm and openmm to create and equilibrate coarse grained (solvated) polymer systems

    cbc-univie/TEAPUN’s past year of commit activity
    Python 0 1 0 0 Updated Apr 28, 2023
  • .github Public
    cbc-univie/.github’s past year of commit activity
    0 0 0 0 Updated Mar 28, 2023
  • polarizabilities_prediction Public

    Atomic polarizabilities for ionic liquids

    cbc-univie/polarizabilities_prediction’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Oct 21, 2022
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