Repositories list

• pAPRika

  Public
  Advanced toolkit for binding free energy calculations

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •14•31•9•2•Updated Oct 14, 2024Oct 14, 2024

• SDLJ

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

  Python

  •0•0•0•0•Updated May 17, 2023May 17, 2023

• resources

  Public
  1•0•0•0•Updated Aug 2, 2021Aug 2, 2021

• itc_fit

  Public
  Python

  •0•1•1•0•Updated May 13, 2019May 13, 2019

• nonequilibrium

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Feb 26, 2018Feb 26, 2018

• Sensitivity-Analysis

  Public
  a force field optimization tool

  ambermd

  C++

  •0•3•2•0•Updated Dec 20, 2017Dec 20, 2017

• APR

  Public
  Attach-release-pull: A free energy calculation workflow

  Python

  •3•7•4•1•Updated Nov 29, 2017Nov 29, 2017

• Isothermal-Titration-Calorimetry

  Public
  Contains code for generating and fitting data for isothermal titration calorimetry

  Python

  •1•0•0•0•Updated Sep 29, 2016Sep 29, 2016

• SAMPL5-bootstrapping-error-analysis

  Public
  Jupyter Notebook

  •1•1•0•0•Updated Aug 31, 2016Aug 31, 2016