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quokka

CMS (Content Management System) - Python, Flask and MongoDB

rdkit

The official sources for the RDKit library

rdkit_summary

rdkit总结与实践

rdkitbook_zhcn

RDKit中文教程

reactiondecoder

Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool

reactivity_predictions_substitution

Platforms to predict reactivity for substitution reactions.

reinvent

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping

sample_ternary_dihedral

Sampling dihedral for non-crash E2/POI-contacting conformation in E3 ternary complex

sciencenetblog

科学网博客搬家

scrapy

Scrapy, a fast high-level web crawling & scraping framework for Python.

secse

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

shadowsocks

shadowsocks-admin

基于Flask的shadowsocks多用户版本的后台管理网站

shadowsocks-manager

A shadowsocks manager tool for multi user and traffic control.

show-me-the-code

Python 练习册，每天一个小程序

sinaweibopy

新浪微博Python SDK

smiles-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

sstmap

Solvation Structure and Thermodynamic Mapping

star-rating

评估，问卷，微信，手机，可用

statocles

Static website CMS

taobao

taobao open api sdk for node: npm install taobao

taobaocomment

Python:某猫某宝商品评论爬虫程序，封装可直接使用，填入商品链接，批量抓取评论，存储于Excel，自动判断链接来自天猫还是淘宝，仅供参考。

test

toy-md

Python code for learning Molecular Dynamics simulations

unit-conversion-program-in-python

This program uses a custom made module and Tkinter to create a unit conversion program mainly for practice making GUI's and for coding in python.

vdisksdk

vftools

vfvs

VirtualFlow for Virtual Screening

walden

最适合东半球同学使用的文档助手