zqhuang2014 Goto Github PK

academic-kickstart

catkit

General purpose tools for high-throughput catalysis

catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

catplot

A Python Library for Energy Profile and Abstract Grid(2D/3D) plotting

computertools

Efficient computer tools!

cpti

a workflow to do constant potential thermodynamic integration in VASP

crash-course-computer-science-chinese

:computer: 计算机速成课 | Crash Course 字幕组 (全40集 2018-5-1 精校完成)

cs-books

超过1000本的计算机经典书籍、个人笔记资料以及本人在各平台发表文章中所涉及的资源等。书籍资源包括C/C++、Java、Python、Go语言、数据结构与算法、操作系统、后端架构、计算机系统知识、数据库、计算机网络、设计模式、前端、汇编以及校招社招各种面经~

dft-book

A book on modeling materials using VASP, ase and vasp

dft-exercises

DENSITY FUNCTIONAL THEORY EXERCISES

electronicdos

Class to perform post-processing calculations on VASP electronic DOS data.

hello-world

Just a testing reposity

hello-world_02

my second repository on GitHub

hive4-tools

Post-processing tool-set for ab-intio calculations using VASP.

intro2kmos

Material for the Introduction to kmos hands-on session

kmclib

A kinetic Monte Carlo Python/C++ library.

kmos

kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier

lobsterpy

Package to automatically analyze Lobster runs

machine-learning-yearning-cn

Machine Learning Yearning 中文版 - 《机器学习训练秘籍》 - Andrew Ng 著

machine_learning_basics

Plain python implementations of basic machine learning algorithms

micki

Object-oriented microkinetic modeling package using ASE

multiscale-kmc

Kinetic Monte Carlo with multiple time scales and sensitivity analysis

notes-python

中文 Python 笔记

occupation-matrix-control-in-vasp

Occupation matrix control modification VASP

pes_model_for_alkaline_her

pure-bash-bible

📖 A collection of pure bash alternatives to external processes.

spoon-knife

This repo is for demonstration purposes only.

student-resources

本文介绍的是利用学生身份可以享受到的相关学生优惠权益，但也希望各位享受权利的同时不要忘记自己的义务，不要售卖、转手自己的学生优惠资格，使得其他同学无法受益。

surfinpy

Thermodynamic Phase Diagram Generator

tccl-code

Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, Molpro program.