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/LOOCV_MCCV-for-qsar-qspr-models
leave one out and Monte Carlo cross validation implementations
huangjianxiangzju/TEM_image_processing
A simple script to process TME images and estimate/calculate the area of dark spots
huangjianxiangzju/topsis_analysis
The Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) is a multi-criteria decision analysis method
huangjianxiangzju/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。
huangjianxiangzju/CS224W_GNN
huangjianxiangzju/Dendrimer-Builder-Toolkit-DBT-_8multiplicity
Dendrimer Builder Toolkit (DBT) with maximum of 8 multiplicity
huangjianxiangzju/DMD_trj2gro
huangjianxiangzju/esp_ex2
A python script to read the cub file of electrostatic potential calculated by Gaussian and extract the electrostatic potentials at 0.001 a.u.
huangjianxiangzju/Enhanced_Sampling_Methods_Tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
huangjianxiangzju/fep-benchmark
Benchmark set for relative free energy calculations.
huangjianxiangzju/Gervasio-Protein-Dynamics
A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery
huangjianxiangzju/GOPY
huangjianxiangzju/gromacs-fda
Force Distribution Analysis (FDA) for GROMACS
huangjianxiangzju/HDZ-DOX-parameters
huangjianxiangzju/huangjianxiangzju.github.io
huangjianxiangzju/ic50
a very simple fitting script to calculate IC50
huangjianxiangzju/indus
Implements the INDUS method for several probe volume geometries.
huangjianxiangzju/leapfrogmdPython
A simple (toy) MD code implemented in Python
huangjianxiangzju/liposome-membrane-thickness
huangjianxiangzju/ML-NLP
此项目是机器学习(Machine Learning)、深度学习(Deep Learning)、NLP面试中常考到的知识点和代码实现，也是作为一个算法工程师必会的理论基础知识。
huangjianxiangzju/NatMater_dekeer_2021
huangjianxiangzju/OpenBPMD
huangjianxiangzju/PyTorch_Tutorial
《Pytorch模型训练实用教程》中配套代码
huangjianxiangzju/PytorchGeometricTutorial
Pytorch Geometric Tutorials
huangjianxiangzju/SCUBA-legacy
huangjianxiangzju/silica_reaction
huangjianxiangzju/Surface_Affinities_Optimization
Genetic algorithm optimization of surface affinities of small, neutral solutes through chemical group re-patterning
huangjianxiangzju/TopoMaker
A package to facilitate the MD simulation conducted by GROMACS. This package is developed by Institute of Quantitative Biology, Zhejiang University, China.
huangjianxiangzju/trr_z.py
A simple tool to manipulate the coords of gmx.
huangjianxiangzju/vermouth-martinize
Describe and apply transformation on molecular structures and topologies