Pinned Repositories
A-COMPUTATIONAL-MODEL-FOR-COUNTERCURRENT-EXTRACTION
Using computer technique to simulate the process of countercurrent extraction. The program will give the diagram and the peak as the result.
AKRtyl
Source codes and data for MD Simulations of AKRtyl
LAMMPS-Fix-ENM
A extended package for calculating elastic network model in LAMMPS
QDock
QDock is a method encoding pose sampling in molecular docking for quantum computers
ReynoldsMaster
A program to do Reynold Correction automatically
Secondary_Structure_Painter
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 it could be further modified.
mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
openmm-torch
OpenMM plugin to define forces with neural networks
ProDy
A Python Package for Protein Dynamics Analysis
JinyinZha's Repositories
JinyinZha/QDock
QDock is a method encoding pose sampling in molecular docking for quantum computers
JinyinZha/A-COMPUTATIONAL-MODEL-FOR-COUNTERCURRENT-EXTRACTION
Using computer technique to simulate the process of countercurrent extraction. The program will give the diagram and the peak as the result.
JinyinZha/AKRtyl
Source codes and data for MD Simulations of AKRtyl
JinyinZha/LAMMPS-Fix-ENM
A extended package for calculating elastic network model in LAMMPS
JinyinZha/ReynoldsMaster
A program to do Reynold Correction automatically
JinyinZha/Secondary_Structure_Painter
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 it could be further modified.