lijiezhong Goto Github PK

aim3g

AiM3G: An ultra-efficient, compact, and powerful AIRSS+M3GNet atomic structure searching tool!

alignn

Atomistic Line Graph Neural Network; https://pages.nist.gov/jarvis_leaderboard/

annotated_deep_learning_paper_implementations

🧑‍🏫 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, ... 🧠

ase-geometries

This repository contains python scripts for making and manipulating ASE geometries for DFT simulations

awesome-python-chemistry

A curated list of Python packages related to chemistry

bamboo

BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.

bertos

BERTOS: transformer for oxidation state prediction

bips

Bitcoin Improvement Proposals

blog-back-up

博客相关文件存储

blogbackup

bond-valence

Python scripts for the calculation of the bond-valence from crystal structures

camd

Agent-based sequential learning software for materials discovery

cgat

Crystal graph attention neural networks for materials prediction

chatgpt

Reverse engineered ChatGPT API

chatgpt-conversation

Have a conversation with ChatGPT using your voice, and have it talk back.

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling

clusterexpansion

Python scripts for cluster expansion

code-wsy

Config files for my GitHub profile.

compmatbook

Computational Materials Science(Book)

comsol_pde

cpp_new_features

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

d-band-center

Calculate s, p or d band centers from VASP DOSCAR files using python 3

data-driven-first-principles-methods-for-the-study-and-design-of-alkali-superionic-conductors

Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors"

ebooks

eBook分享大集合：主要以IT领域经典书籍收藏，以备不时之需。

echemdid-sei

Files to install Lammps with EChemDID and some examples files to study the SEI in Li-ion battery.

fplib3

gitpod-gui-example

This is a example that is shown the Gui application in Gitpod. (using gitpod-full-vnc docker file)

handson-ml2

https://github.com/ageron/handson-ml2

lammps

Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.

lijiezhong

Config files for my GitHub profile.