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  1. QDock QDock Public

    QDock is a method encoding pose sampling in molecular docking for quantum computers

    Jupyter Notebook 2 2

  2. A-COMPUTATIONAL-MODEL-FOR-COUNTERCURRENT-EXTRACTION A-COMPUTATIONAL-MODEL-FOR-COUNTERCURRENT-EXTRACTION Public

    Using computer technique to simulate the process of countercurrent extraction. The program will give the diagram and the peak as the result.

    Python

  3. ReynoldsMaster ReynoldsMaster Public

    A program to do Reynold Correction automatically

    Python 1

  4. LAMMPS-Fix-ENM LAMMPS-Fix-ENM Public

    A extended package for calculating elastic network model in LAMMPS

    C++

  5. Secondary_Structure_Painter Secondary_Structure_Painter Public

    Secondary Structure Painter (SSP) is a tool for plotting amino acid sequence with their seconday structure. SSP requires no installation on Windows and especially, output in a pptx format so that i…

    Python

  6. AKRtyl AKRtyl Public

    Source codes and data for MD Simulations of AKRtyl

    Jupyter Notebook