Pinned Repositories
amyloid-simulations
Various simulations of coarse-grained amyloid models using the lammps_multistate_rods library
blogs
CodingInterviews2-ByPython
此项目是《剑指offer》第二版里算法面试题的Python3实现版本，作为一本经典书籍，可以时常拿出来看一看、翻一翻、记一记。同时也是为了Python程序员能够更好的通过公司的技术面试，拿到心仪的offer。
corrections
Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017)
CS224W_GNN
data
Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
Dendrimer-Builder-Toolkit-DBT-_8multiplicity
Dendrimer Builder Toolkit (DBT) with maximum of 8 multiplicity
LOOCV_MCCV-for-qsar-qspr-models
leave one out and Monte Carlo cross validation implementations
TEM_image_processing
A simple script to process TME images and estimate/calculate the area of dark spots
topsis_analysis
The Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) is a multi-criteria decision analysis method
huangjianxiangzju's Repositories
huangjianxiangzju/g_mmpbsa
MM-PBSA method for GROMACS. For full description, please visit homepage:
huangjianxiangzju/gmx_makecyclictop
This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology file
huangjianxiangzju/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
huangjianxiangzju/lammps_multistate_rods
A python library for simulating rod-like structures with multiple states (conformations) in LAMMPS.
huangjianxiangzju/corrections
Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017)
huangjianxiangzju/amyloid-simulations
Various simulations of coarse-grained amyloid models using the lammps_multistate_rods library
huangjianxiangzju/Python
All Algorithms implemented in Python
huangjianxiangzju/GromacsWrapper
GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x, all with the same Python code) into python scripts.
huangjianxiangzju/eBDIMS
Core scripts to run eBDIMS protein dynamics transitions
huangjianxiangzju/fluxer
A script for counting crossing events across a finite width xy-plane membrane.
huangjianxiangzju/myfirstblog
huangjianxiangzju/blogs
huangjianxiangzju/myblogs
huangjianxiangzju/data
Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
huangjianxiangzju/flask
python flask web
huangjianxiangzju/fortran.tmbundle
TextMate support for Fortran
huangjianxiangzju/Kinesin
Kinesin