aixuan1995py's repositories
pymatgen_tools_CN
Simple Chinese Tutorials of pymatgen
apachecn-dl-zh
ApacheCN 深度学习译文集
SGCNN
Slab graph convolutional neural networks for predicting surface-related material properties
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.
robocrystallographer
Automatic generation of crystal structure descriptions.
qqmessageoutput
安卓QQ聊天记录导出
berkeley-stat-157
Homepage for STAT 157 at UC Berkeley
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
leeml-notes
李宏毅《机器学习》笔记,在线阅读地址:https://datawhalechina.github.io/leeml-notes
TensorFlow-Examples
TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)
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.
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
gdynet
Unsupervised learning of atomic scale dynamics from molecular dynamics.
VASP_script
Useful scripts for VASP
nndl.github.io
《神经网络与深度学习》 Neural Network and Deep Learning
recommended-books
计算机经典书籍推荐 附下载地址 PDF格式
auto-taobao.js
利用Auto.js抢购淘宝购物车内商品
pyband
band plot using python matplotlib
RISparser
Python RIS files parser, provides RIS files as dictionary via generator.