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@KurtzmanLab SolvationTools

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    10 repositories

    • SSTMap

      Public
      Solvation Structure and Thermodynamic Mapping
      thermodynamicssolvationsolvation-structure
      thermodynamicssolvationsolvation-structure
      Python
      •
      MIT License
      •26•42•4•3•Updated Dec 17, 2025Dec 17, 2025

    • BindingSiteSolvation

      Public
      Python
      •1•1•0•0•Updated Apr 13, 2025Apr 13, 2025

    • RAPAData

      Public
      Shell
      •1•0•0•0•Updated Jan 20, 2025Jan 20, 2025

    • HSA-Most-Probable-Water-Orientation

      Public
      Code to find the most probable orientations in each HSA cluster
      Python
      •1•0•0•0•Updated Jan 22, 2024Jan 22, 2024

    • Small_Molecule_Solvation

      Public
      Study small molecule solvation by PME-GIST
      1•3•1•0•Updated Jan 24, 2021Jan 24, 2021

    • COVID19_GIST_HSA

      Public
      The Solvation Mapping on COVID19 related Protein Targets
      Shell
      •
      MIT License
      •4•2•1•0•Updated Jul 9, 2020Jul 9, 2020

    • covid

      Public
      MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
      HTML
      •47•0•0•0•Updated May 18, 2020May 18, 2020

    • cpptraj

      Public
      Biomolecular simulation trajectory/data analysis.
      C++
      •
      Other
      •69•0•0•0•Updated Apr 5, 2019Apr 5, 2019

    • sstmap_test_suite

      Public
      Test systems for SSTMap
      Python
      •3•2•2•0•Updated Apr 25, 2018Apr 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
      C++
      •
      MIT License
      •4•3•0•0•Updated Mar 19, 2018Mar 19, 2018
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