Repositories list

• SSTMap

  Public
  Solvation Structure and Thermodynamic Mapping

  solvationthermodynamicssolvation-structure

  Python

  •

  MIT License

  •23•38•4•3•Updated Mar 27, 2024Mar 27, 2024

• 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

  •49•0•0•0•Updated May 18, 2020May 18, 2020

• cpptraj

  Public
  Biomolecular simulation trajectory/data analysis.

  C++

  •

  Other

  •64•0•0•0•Updated Apr 5, 2019Apr 5, 2019

• sstmap_test_suite

  Public
  Test systems for SSTMap

  Python

  •3•2•1•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