Library of deep learning models and datasets designed to make deep learning more accessible and accelerate ML research.

Boto3, an AWS SDK for Python

MDAnalysis is a Python library to analyze molecular dynamics simulations.

Conversion tool for molecular simulations

Some collected tools for molecular simulation pipelines

知乎回答：https://www.zhihu.com/question/19929256/answer/72976430

A curated list of data science blogs

Python quantum chemistry (experimental and test routines)

Generate UV-Vis absorption spectra from TDHF/TDDFT data in ADF, GAMESS, Gaussian, and Jaguar output files.

Push your Google reader to your Kindle

A curated list of awesome Machine Learning frameworks, libraries and software.

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Python入门网络爬虫之精华版

中文版scipy-lecture-notes. 网站下线, 以离线HTML的形式继续更新, 见release.

Source code of the Theoretical Physics Reference online book

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.

获取青果软件的教育网络管理系统的教师信息的Python脚本