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This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
Atom2Vec: a simple way to describe atoms for machine learning
Grain-boundary generator with Atomman
This repo includes ChatGPT prompt curation to use ChatGPT better.
收集整理 GitHub 上高质量、有趣的开源项目。
A curated list of awesome resources on using machine learning and data science for discovery of physical laws
A curated list of Python packages related to chemistry
A curated list of awesome command-line frameworks, toolkits, guides and gizmos. Inspired by awesome-php.
Bond Elongation Index for quantifying the anisotropic ferroelectric distortion using Python script
Software to study polarization and topological properties of crystalline solids
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Programs for constructing Brillouin zones in three- and two-dimensional space.
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
ChatGLM-6B:开源双语对话语言模型 | An Open Bilingual Dialogue Language Model
🔮 ChatGPT Desktop Application (Mac, Windows and Linux)
使用 express 和 vue3 搭建的 ChartGPT 演示网页
A python package for chemical space visualization.
Continuation of Clash Verge - A Clash Meta GUI based on Tauri (Windows, MacOS, Linux)
2021 Python, Deep Archetypal Analysis (Bayesian NN, Deep Variational Autoencoder), Compressed Sensing, Kmeans, setuptools, tensorflow (keras), tensorflow_probability, sklearn (cluster, metrics, model_selection, preprocessing), pandas, typing
Software developed for the article: J. Phys. Chem. C 2016, 120, 10895−10908, DOI: 10.1021/acs.jpcc.6b01496
Compositional-Stimulus and Model-Response framework to extract exact decision-making process along continuous compositional pathways for machine learning models trained for material properties.
CReM: chemically reasonable mutations framework
Connecting first year linear algebra, computer programming and material science
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website. Project led by @mkhorton.
Source code for deep symbolic optimization.
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.