LiuBo8203YY's repositories
BestPractices
Things that you should (and should not) do in your Materials Informatics research.
pymatgen-diffusion
This add-on to pymatgen provides tools for analyzing diffusion in materials.
Topological_Analysis
Topological analysis for Li local space, site, pathway in crystal structures
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
phonopy
Phonon code
awesome-python-applications
💿 Free software that works great, and also happens to be open-source Python.
Python
Python脚本。模拟登录知乎， 爬虫，操作excel，微信公众号，远程开机
pylada-light
A physics computational framework for python and ipython
ipv6-hosts
Fork of https://code.google.com/archive/p/ipv6-hosts/
XX-Net
a web proxy tool
wtfpython-cn
wtfpython的中文翻译/施工结束/ 能力有限，欢迎帮我改进翻译
wxpy
微信机器人 / 可能是最优雅的微信个人号 API ✨✨
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
flasky
Companion code to my O'Reilly book "Flask Web Development", second edition.
SISSO
A compressed-sensing method for systematically identifying efficient physical models of materials properties
perovskite-oxide-stability-prediction
code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite compounds
matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
periodic-table-plotter
Make periodic table map plots and pettifor-style trend plots.
supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
pymatgen_examples
Some examples of using pymatgen code
paper_writing_guide
Shyue Ping's guidelines for paper writing
mapidoc
Public repo for Materials API documentation
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
AIMD_Toolkit
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
lev00
L. N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.