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AiM3G: An ultra-efficient, compact, and powerful AIRSS+M3GNet atomic structure searching tool!
Atomistic Line Graph Neural Network; https://pages.nist.gov/jarvis_leaderboard/
🧑🏫 59 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠
This repository contains python scripts for making and manipulating ASE geometries for DFT simulations
A curated list of Python packages related to chemistry
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
BERTOS: transformer for oxidation state prediction
Bitcoin Improvement Proposals
博客相关文件存储
Python scripts for the calculation of the bond-valence from crystal structures
Agent-based sequential learning software for materials discovery
Crystal graph attention neural networks for materials prediction
Reverse engineered ChatGPT API
Have a conversation with ChatGPT using your voice, and have it talk back.
Pretrained universal neural network potential for charge-informed atomistic modeling
Python scripts for cluster expansion
Config files for my GitHub profile.
Computational Materials Science(Book)
2021年最新整理, C++ 学习资料,含C++ 11 / 14 / 17 / 20 / 23 新特性、入门教程、推荐书籍、优质文章、学习笔记、教学视频等
Calculate s, p or d band centers from VASP DOSCAR files using python 3
Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"
eBook分享大集合:主要以IT领域经典书籍收藏,以备不时之需。
Files to install Lammps with EChemDID and some examples files to study the SEI in Li-ion battery.
This is a example that is shown the Gui application in Gitpod. (using gitpod-full-vnc docker file)
https://github.com/ageron/handson-ml2
Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
Config files for my GitHub profile.
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.