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@KurtzmanLab

SolvationTools

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  1. SSTMap SSTMap Public

    Solvation Structure and Thermodynamic Mapping

    Python 39 24

  2. Gist-Post-Processing Gist-Post-Processing Public

    Stable release public github repository for Gist-Post-Processing, a codebase designed to assist users in evaluating gist quantities or .dx maps in general

    C++ 3 4

  3. Small_Molecule_Solvation Small_Molecule_Solvation Public

    Study small molecule solvation by PME-GIST

    3 1

  4. sstmap_test_suite sstmap_test_suite Public

    Test systems for SSTMap

    Python 2 3

  5. COVID19_GIST_HSA COVID19_GIST_HSA Public

    The Solvation Mapping on COVID19 related Protein Targets

    Shell 2 4

  6. cpptraj cpptraj Public

    Forked from Amber-MD/cpptraj

    Biomolecular simulation trajectory/data analysis.

    C++

Repositories

Showing 10 of 10 repositories
  • BindingSiteSolvation Public
    KurtzmanLab/BindingSiteSolvation’s past year of commit activity
    0 0 0 0 Updated Jan 21, 2025
  • RAPAData Public
    KurtzmanLab/RAPAData’s past year of commit activity
    Shell 0 1 0 0 Updated Jan 20, 2025
  • SSTMap Public

    Solvation Structure and Thermodynamic Mapping

    KurtzmanLab/SSTMap’s past year of commit activity
    Python 39 MIT 24 4 3 Updated Mar 27, 2024
  • HSA-Most-Probable-Water-Orientation Public

    Code to find the most probable orientations in each HSA cluster

    KurtzmanLab/HSA-Most-Probable-Water-Orientation’s past year of commit activity
    Python 0 1 0 0 Updated Jan 22, 2024
  • Small_Molecule_Solvation Public

    Study small molecule solvation by PME-GIST

    KurtzmanLab/Small_Molecule_Solvation’s past year of commit activity
    3 1 1 0 Updated Jan 24, 2021
  • COVID19_GIST_HSA Public

    The Solvation Mapping on COVID19 related Protein Targets

    KurtzmanLab/COVID19_GIST_HSA’s past year of commit activity
    Shell 2 MIT 4 1 0 Updated Jul 9, 2020
  • covid Public Forked from MolSSI/covid

    MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

    KurtzmanLab/covid’s past year of commit activity
    HTML 0 49 0 0 Updated May 18, 2020
  • cpptraj Public Forked from Amber-MD/cpptraj

    Biomolecular simulation trajectory/data analysis.

    KurtzmanLab/cpptraj’s past year of commit activity
    C++ 0 67 0 0 Updated Apr 5, 2019
  • sstmap_test_suite Public

    Test systems for SSTMap

    KurtzmanLab/sstmap_test_suite’s past year of commit activity
    Python 2 3 1 0 Updated Apr 25, 2018
  • Gist-Post-Processing Public

    Stable release public github repository for Gist-Post-Processing, a codebase designed to assist users in evaluating gist quantities or .dx maps in general

    KurtzmanLab/Gist-Post-Processing’s past year of commit activity
    C++ 3 MIT 4 0 0 Updated Mar 19, 2018

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