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    17 repositories

    • mcm2025

      Public
      SCSS
      •0•0•0•0•Updated Jan 22, 2025Jan 22, 2025

    • FultonMarket

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•2•0•Updated Jan 22, 2025Jan 22, 2025

    • CCBatIIT.github.io

      Public
      Minh Group website
      SCSS
      •1.2k•0•0•0•Updated Jan 20, 2025Jan 20, 2025

    • AlGDock

      Public
      Molecular docking with Alchemical Interaction Grids
      Jupyter Notebook
      •
      MIT License
      •26•26•2•1•Updated Jan 17, 2025Jan 17, 2025

    • Bridgeport

      Public
      Code for the preparation and running of OpenMM Simulations with the Open Force Field (Requires Python 3.9)
      Jupyter Notebook
      •
      MIT License
      •1•0•4•0•Updated Dec 5, 2024Dec 5, 2024

    • MotorRow

      Public
      Python
      •
      MIT License
      •1•0•0•1•Updated Nov 26, 2024Nov 26, 2024

    • modelingworkshop

      Public template
      Jupyter Notebook
      •1•2•0•0•Updated Nov 12, 2024Nov 12, 2024

    • MOR-Paper-Input-Structures

      Public
      0•0•0•0•Updated Aug 15, 2024Aug 15, 2024

    • modelingworkshop2021

      Public
      An International Workshop on Modeling Biological Macromolecules
      Jupyter Notebook
      •0•2•0•0•Updated Feb 24, 2022Feb 24, 2022

    • mdanalysis

      Public
      MDAnalysis is a Python library to analyze molecular dynamics trajectories.
      Python
      •
      Other
      •668•0•0•0•Updated Jan 10, 2022Jan 10, 2022

    • ILT_Relative

      Public
      Python
      •1•0•0•0•Updated Feb 11, 2020Feb 11, 2020

    • Nonequilibrium

      Public
      Python
      •1•1•0•0•Updated Oct 28, 2019Oct 28, 2019

    • BPMFwFFT

      Public
      Python
      •3•1•0•0•Updated Sep 26, 2019Sep 26, 2019

    • bs-detector

      Public
      Converts images of ball-and-stick molecular models into SMILES strings
      MIT License
      •0•0•0•0•Updated Mar 12, 2017Mar 12, 2017

    • bayesian-itc

      Public
      Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
      TeX
      •
      GNU General Public License v3.0
      •10•0•0•0•Updated Jan 16, 2017Jan 16, 2017

    • IPRO-Spring2016

      Public
      ApacheConf
      •4•0•0•0•Updated May 2, 2016May 2, 2016

    • molex

      Public
      Analysis tools for kinetic molecular experiments such as fluorescence correlation spectroscopy, rapid mixing, dynamic neutron scattering, etc.
      1•0•0•0•Updated Apr 26, 2014Apr 26, 2014