Jingxiang Guo's repositories
CPlusPlusThings
C++那些事
JGCoder.github.io
create personal website at: https://zenglix.github.io/
checkensemble
This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.
Clean-Code-in-Python
Clean Code in Python, published by Packt
CppCoreGuidelines
The C++ Core Guidelines are a set of tried-and-true guidelines, rules, and best practices about coding in C++
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.
forcebalance
Systematic force field optimization.
foyer
A package for atom-typing as well as applying and disseminating forcefields
gmso
Flexible storage of chemical topology for molecular simulation
hoomd-blue
HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.
mathematical-python
Introduction to Mathematical Computing with Python and Jupyter
mml-book.github.io
Companion webpage to the book "Mathematics For Machine Learning"
nelder-mead
C implementation of the Nelder-Mead method for unconstrained optimisation
pyequion2
Pure python package for electrolyte equilibrium calculation
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
Python-100-Days
Python - 100天从新手到大师
PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
software-development
A primer on software development best practices for computational chemistry
sorting-visualizer
Some python scripts which can visualize several famous sorting algorithms and generate the animations via Matplotlib.
sphinx-with-markdown
This is an exploration of using Sphinx with Markdown
TheArtofHPC_pdfs
All pdfs of Victor Eijkhout's Art of HPC books and courses