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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

deeplearningandtensorflow

deepmd-kit

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

dpmd-wc

dracula-theme

:scream: A dark theme for all the things!

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.

jlu-drcom-client

JLU Drcom Client

leeml-notes

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

luci-app-jlu-drcom

LuCI interface Dr.com client for JLU

mpinterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

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-codes

Sample Codes for NNDL

nndl.github.io

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

plot_scripts_matplotlib

pmgtools

My pymatgen tools

pyband

band plot using python matplotlib

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.

pymatgen_tools_cn

Simple Chinese Tutorials of pymatgen

python-machine-learning-blueprints

Code repository for Python Machine Learning Blueprints, published by Packt

q-e

Mirror of the Quantum ESPRESSO repository

qetools

My QE tools