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atomate is a powerful software for computational materials science and contains pre-built workflows.
:octocat: A curated awesome list of lists of interview questions. Feel free to contribute! :mortar_board:
BandUP: Band Unfolding code for Plane-wave based calculations
A Python implementation of global optimization with gaussian processes.
Crystal graph convolutional neural networks for predicting material properties.
chemistry tables and formulas
A simple, robust and flexible just-in-time job management framework in Python.
The Fireworks Workflow Management Repo.
Statistical Mechanics 2D Ising Model Simulations
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).
pyeco翻译
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.
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
Personal fork of [Quantum Espresso](http://www.quantum-espresso.org/)
just a test
Tutorials for web developers including bash scripting, Linux commands, MongoDB. Actively updating.
High throughput workflow tools for characterizing 2D materials in VASP.
a series of python scripts to standardize 2D structures or other surface models
Assets for the Materials Project workshop in Aug 2016
Assets for the 2017 Materials Project workshop
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.