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100-dasys-python

100 dasys python

100-days-of-ml-code

100-Days-Of-ML-Code中文版

100-days-of-ml-code-1

100 Days of ML Coding

ailearning

AiLearning: 机器学习 - MachineLearning - ML、深度学习 - DeepLearning - DL、自然语言处理 NLP

chatglm2-6b

ChatGLM2-6B: An Open Bilingual Chat LLM | 开源双语对话语言模型

chatgpt_academic

科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps.

elasticpost

POST code for second order elastic constant

extending-and-modifying-lammps-writing-your-own-source-code

Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt

fem-composite

finite element method for composite

hefei-namd

ab-initio nonadiabatic molecular dynamics program

lammps-30oct19

lammpstutorials.github.io

This is the script of the webpage LAMMPS tutorials.

nufeb

Official release of the NUFEB software

ob-images

orientation_averaging_mean_field

Bauer, J. K., & Böhlke, T. (2022). On the dependence of orientation averaging mean field homogenization on planar fourth-order fiber orientation tensors. Mechanics of Materials, 104307.

orientational_averaging

Python script that generates useful code compatible with Mathematica for performing orientational averages with tensors up to rank 4

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

python

All Algorithms implemented in Python

python-100-days

Python - 100天从新手到大师

ria2

Source code for R in Action, Second Edition

scattering_random_orientation

scuff-em application for average scattering of randomly oriented particles

supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

undergroundmaker

Config files for my GitHub profile.

usefultools-for-vasp

A lite tool for monitoring convergence in VASP relaxation

vasp-lammps-installation-tips

Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel

vasp-script

vaspcz

一个提高效率的Vasp计算辅助程序

vaspkit_manual

VASPKIT_manual markdown source!

vasptools

some toolkits for VASP