Pinned Repositories
AlphaFold_Models_Agarwal_McShan
amyloid-simulations
Various simulations of coarse-grained amyloid models using the lammps_multistate_rods library
analysis
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
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/AlphaFold_Models_Agarwal_McShan
huangjianxiangzju/analysis
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/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/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