yabeiwu Goto Github PK

awesome-materials-informatics

Curated list of known efforts in materials informatics

bgwpy

BerkeleyGW python

blog_backup

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

computing_scripts

Some post processing for computing packages

das

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

fancyss

fancyss is a project providing tools to across the GFW on asuswrt/merlin based router.

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chatglm2等本地模型。兼容复旦MOSS, llama2, rwkv, newbing, claude, claude2等

hosts

镜像：https://coding.net/u/scaffrey/p/hosts/git

img2latex-mathpix

An image to LaTeX tool by MathpixOCR API and JavaFX

irvsp

Please cite this code: J. Gao, Q. Wu, C. Persson, Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.

mknt

A nano-tube generation program

mlearn

Benchmark Suite for Machine Learning Interatomic Potentials for Materials

openfermion

OpenFermion: The Electronic Structure Package For Quantum Computers.

practical-python

Practical Python Programming (course by @dabeaz)

pudb

Full-screen console debugger for Python

qscaild

shuthesis

LaTeX Thesis Template for Shanghai University

sublime-evernote

Open and Save Evernote notes from Sublime Text 3 using Markdown

vasp_unfold

vaspbandunfolding

a python class for dealing with VASP WAVECAR.

vaspy

Manipulating VASP files with Python.

vnote

A pleasant note-taking platform.

wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

webplotdigitizer

HTML5 based online tool to extract numerical data from plot images.

workfunction

Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)

yabeiwu.github.io