wuyulele

Pinned Repositories

adcc
adcc: Seamlessly connect your program to ADC
Language:Python10
AHO
This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".
Language:Python0 0 00
atom
:atom: The hackable text editor
Language:JavaScript00
avogadro
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Language:C++10
chatgpt-advanced
A browser extension that augments your ChatGPT prompts with web results.
Language:JavaScript0 0 00
ChatPaper
Use ChatGPT to summarize the arXiv papers. 全流程加速科研，利用chatgpt进行论文总结+润色+审稿+审稿回复
Language:Python00
g09tools
Tools for submission and recovering of Gaussian software
Language:Shell10
nwchem
NWChem: Open Source High-Performance Computational Chemistry
Language:Fortran10
Scripts
This repository is for scripts developed by the group so that we do not waste time reinventing the wheel.
Language:Python10
tools-for-g09.bash
Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
Language:Shell1 0 00

wuyulele's Repositories

wuyulele/adcc
adcc: Seamlessly connect your program to ADC
Language:Python10
wuyulele/avogadro
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Language:C++10
wuyulele/g09tools
Tools for submission and recovering of Gaussian software
Language:Shell10
wuyulele/nwchem
NWChem: Open Source High-Performance Computational Chemistry
Language:Fortran10
wuyulele/Scripts
This repository is for scripts developed by the group so that we do not waste time reinventing the wheel.
Language:Python10
wuyulele/tools-for-g09.bash
Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
Language:Shell1 0 00
wuyulele/AHO
This is a repository for paper "Towards Data-driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning".
Language:Python0 0 00
wuyulele/atom
:atom: The hackable text editor
Language:JavaScript00
wuyulele/chatgpt-advanced
A browser extension that augments your ChatGPT prompts with web results.
Language:JavaScript0 0 00
wuyulele/ChatPaper
Use ChatGPT to summarize the arXiv papers. 全流程加速科研，利用chatgpt进行论文总结+润色+审稿+审稿回复
Language:Python00
wuyulele/hosts
镜像：https://scaffrey.coding.net/p/hosts/git / https://git.qvq.network/googlehosts/hosts
00
wuyulele/ChatReviewer
ChatReviewer: 使用ChatGPT分析论文优缺点，提出改进建议
wuyulele/EdgeGPT
Reverse engineered API of Microsoft's Bing Chat AI
wuyulele/EnTdecker
EnTdecker platform
wuyulele/gpt-code-ui
An open source implementation of OpenAI's ChatGPT Code interpreter
wuyulele/gpt_academic
为ChatGPT/GLM提供图形交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持清华chatglm等本地模型。兼容复旦MOSS, llama, rwkv, 盘古, newbing, claude等
wuyulele/molecularGSM
code for single-ended and double-ended molecular GSM
wuyulele/molSimplify
molSimplify code
wuyulele/neb_visualize
script to visualize results from an ORCA NEB run
wuyulele/pyGSM
Thermal and photochemical reaction path optimization and discovery
wuyulele/pyQChem
A Python module for scripting with Q-Chem
wuyulele/QC_Tools
This small repository provides functionality for calculating the charge transfer integrals between two molecules.
wuyulele/runoob-PDF-
爬取菜鸟教程网站并转PDF__python_crawer_by_chrome
wuyulele/test
wuyulele/tools-for-g16.bash
A collection of tools for the help with Gaussian 16.
wuyulele/VASP-script
wuyulele/xtb
Semiempirical Extended Tight-Binding Program Package