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100+ Python Projects Challenge
βAb initio thermodynamics of liquid and solid waterβ Bingqing Cheng, Edgar A. Engel, JΓrg Behler, Christoph Dellago and Michele Ceriotti
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Open-source library for analyzing the results produced by ABINIT
ab initio Transmission Electron Microscopy
Parameterisation of Equivariant Properties of Particle Systems
Atomic Cluster Expansion for Modelling Invariant Atomic Properties
A complete pack of cards, all aces
A wrapper for many computational codes of thermal conductivity
A tutorial for students that surveys basic ML techniques in ipython notebook format.
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Electronic transport properties from first-principles calculations
Set of codes to extract force constants from force-displacements data, calculate thermal equilbrium state using SCP theory and thermal transport properties based on BTE
This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
ARCHER Introduction to GPU Programming
ARCHER2 C++ course
Atomic Simulation Environment - mirror of https://gitlab.com/ase/ase
A simple yet slightly non-obvious assertion utility for Fortran 2018
atomate2 is a library of computational materials science workflows
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
Atomistic Manipulation Toolkit
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
:page_facing_up: Awesome CV is LaTeX template for your outstanding job application
π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.
π A ranked list of awesome Jupyter Notebook, Hub and Lab projects (extensions, kernels, tools). Updated weekly.
π A ranked list of awesome machine learning Python libraries. Updated weekly.
Source for paper on best practices in scientific computing
JuliaηΌη¨ζε
A declarative, efficient, and flexible JavaScript library for building user interfaces.
π 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. πππ
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 β€οΈ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.