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This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
atomate is a powerful software for computational materials science and contains pre-built workflows.
💿 Free software that works great, and also happens to be open-source Python.
Things that you should (and should not) do in your Materials Informatics research.
Crystal graph convolutional neural networks for predicting material properties.
Companion code to my O'Reilly book "Flask Web Development", second edition.
Fork of https://code.google.com/archive/p/ipv6-hosts/
L. N. Kantorovich, User-friendly visualisation program for ab initio DFT codes VASP, SIESTA, QE and QUICKSTEP, 1996-2012, unpublished.
Public repo for Materials API documentation
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
Shyue Ping's guidelines for paper writing
Make periodic table map plots and pettifor-style trend plots.
code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite compounds
Phonon code
A physics computational framework for python and ipython
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.
This add-on to pymatgen provides tools for analyzing diffusion in materials.
Some examples of using pymatgen code
Python脚本。模拟登录知乎, 爬虫,操作excel,微信公众号,远程开机
A compressed-sensing method for systematically identifying efficient physical models of materials properties
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
Topological analysis for Li local space, site, pathway in crystal structures
wtfpython的中文翻译/施工结束/ 能力有限,欢迎帮我改进翻译
微信机器人 / 可能是最优雅的微信个人号 API ✨✨
a web proxy tool
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.