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2dmatpedia

aflow

Automatic - FLOW for Materials Discovery

aiida_core

The official repository for the AiiDA code

anncm

MAGMISS软件下ANNCM模块源代码

ase_ani

ANI-1 neural net potential with python interface (ASE)

atcnn

ATCNN models

awesome-python

A curated list of awesome Python frameworks, libraries, software and resources

awesome-python-cn

Python资源大全中文版，包括：Web框架、网络爬虫、模板引擎、数据库、数据可视化、图片处理等，由伯乐在线持续更新。

awesome-vue

🎉 A curated list of awesome things related to Vue.js

blog

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

combo

COMmon Bayesian Optimization

crawler

学习使用爬虫

cryspy

Website and document: https://tomoki-yamashita.github.io/CrySPY

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.

dag-diagram

VUE plugin for DAG graph , u can use it 4 flow diagram or machine learning visualization

deepmd-kit

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

django-with-vuejs

Fast and clear in DevOps.

flask

The Python micro framework for building web applications.

gasp-python

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

git-it-electron

:computer: :mortar_board: Git-it is a (Mac, Win, Linux) Desktop App for Learning Git and GitHub

grokking-deep-learning

this repository accompanies my forthcoming book "Grokking Deep Learning"

hero-starter

hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

hpcviewer

HPCToolkit performance tools: hpcviewer and hpctraceviewer graphical user interfaces

image-downloader

Download images from Google, Bing, Baidu. 谷歌、百度、必应图片下载.

interview_python

关于Python的面试题

jarvis

Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics and machine-learning.

jdftx

JDFTx: software for joint density functional theory

knowledge

python学习之路，就是不断累积，不断学习的过程。该知识库讲解了Python Web框架内容，如Django、DjangoRestFramework、tornado、flask，redis，MySQL，MongoDB，docker，Vue等内容