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Gilson Lab (UCSD)

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  1. pAPRika pAPRika Public

    Advanced toolkit for binding free energy calculations

    Python 31 14

  2. APR APR Public

    Attach-release-pull: A free energy calculation workflow

    Python 7 3

  3. Sensitivity-Analysis Sensitivity-Analysis Public

    a force field optimization tool

    C++ 3

  4. SAMPL5-bootstrapping-error-analysis SAMPL5-bootstrapping-error-analysis Public

    Jupyter Notebook 1 1

  5. itc_fit itc_fit Public

    Python 1

  6. Isothermal-Titration-Calorimetry Isothermal-Titration-Calorimetry Public

    Contains code for generating and fitting data for isothermal titration calorimetry

    Python 1

Repositories

Showing 9 of 9 repositories
  • pAPRika Public

    Advanced toolkit for binding free energy calculations

    GilsonLabUCSD/pAPRika’s past year of commit activity
    Python 31 BSD-3-Clause 14 9 (1 issue needs help) 2 Updated Oct 14, 2024
  • SDLJ Public

    Python code to partition electron densities and generate Lennard-Jones parameters

    GilsonLabUCSD/SDLJ’s past year of commit activity
    Python 0 0 0 0 Updated May 17, 2023
  • resources Public
    GilsonLabUCSD/resources’s past year of commit activity
    0 1 0 0 Updated Aug 2, 2021
  • itc_fit Public
    GilsonLabUCSD/itc_fit’s past year of commit activity
    Python 1 0 1 0 Updated May 13, 2019
  • nonequilibrium Public
    GilsonLabUCSD/nonequilibrium’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Feb 26, 2018
  • Sensitivity-Analysis Public

    a force field optimization tool

    GilsonLabUCSD/Sensitivity-Analysis’s past year of commit activity
    C++ 3 0 2 0 Updated Dec 20, 2017
  • APR Public

    Attach-release-pull: A free energy calculation workflow

    GilsonLabUCSD/APR’s past year of commit activity
    Python 7 3 4 1 Updated Nov 29, 2017
  • Isothermal-Titration-Calorimetry Public

    Contains code for generating and fitting data for isothermal titration calorimetry

    GilsonLabUCSD/Isothermal-Titration-Calorimetry’s past year of commit activity
    Python 0 1 0 0 Updated Sep 29, 2016
  • SAMPL5-bootstrapping-error-analysis Public
    GilsonLabUCSD/SAMPL5-bootstrapping-error-analysis’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated Aug 31, 2016

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