aixuan1995py

VASPtools

My VASPtools

QEtools

My QE tools

vasp_small_script

PMGtools

My pymatgen tools

aixuan

aixuan1995

apachecn-dl-zh

ApacheCN 深度学习译文集

auto-taobao.js

利用Auto.js抢购淘宝购物车内商品

berkeley-stat-157

Homepage for STAT 157 at UC Berkeley

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

Covalency_Competition_Dominates_the_Water_Oxidation_Structure-Activity_Relationship_on_Spinel_Oxides

ML codes

deepmd-kit

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

DPMD-WC

GASpy_manuscript

gdynet

Unsupervised learning of atomic scale dynamics from molecular dynamics.

gris

minimalistic python tool to read, parse, and write reference data in RIS format

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

leeml-notes

李宏毅《机器学习》笔记，在线阅读地址：https://datawhalechina.github.io/leeml-notes

neural-network-design-of-HEA

This is the repository of the code and data needed for reproducing the results of the paper "Neural Network-Assisted Development of High-Entropy Alloy Catalysts: Decoupling Ligand and Coordination Effects", currently submitted to Matter.

nndl.github.io

《神经网络与深度学习》 Neural Network and Deep Learning

Plot_scripts_Matplotlib

pyband

band plot using python matplotlib

pymatgen_tools_CN

Simple Chinese Tutorials of pymatgen

qqmessageoutput

安卓QQ聊天记录导出

recommended-books

计算机经典书籍推荐 附下载地址 PDF格式

RISparser

Python RIS files parser, provides RIS files as dictionary via generator.

robocrystallographer

Automatic generation of crystal structure descriptions.

SGCNN

Slab graph convolutional neural networks for predicting surface-related material properties

TensorFlow-Examples

TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)

VASP_script

Useful scripts for VASP