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N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.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