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3dmol.js

WebGL accelerated JavaScript molecular graphics library

academicpages.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

awesome-cheminformatics

A curated list of awesome Cheminformatics libraries and software.

awesome-courses

:books: List of awesome university courses for learning Computer Science!

awesome-deep-learning-papers

The most cited deep learning papers

awesome-python-chemistry

A curated list of Python packages related to chemistry

cas_validation

Chemical Abstracts Service (CAS) Registry Number Validation

cbe20255

Introduction to Chemical Engineering Analysis

chembl_ikey

Pure python implementation of InChiKey generation algorithm based on the original C code

chemcell

ChemCell - Cheminformatics workflow for Excel

chemdataextractor

Pipeline for automated extraction of chemical property information from scientific documents

cheminf-notebooks

Different useful and less useful cheminformatics related notebooks

chempy

⚗ Python package useful for (physical) chemistry

chemspipy

Python wrapper for the ChemSpider API

chemtreemap

An Interactive Map of Biochemical Similarity in Molecular Datasets. The document: http://chemtreemap.readthedocs.org/en/latest/ . The project website:

chinese-poetry

最全中华古诗词数据库, 唐宋两朝近一万四千古诗人, 接近5.5万首唐诗加26万宋诗. 两宋时期1564位词人，21050首词。

cirpy

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

d3

Bring data to life with SVG, Canvas and HTML. :bar_chart::chart_with_upwards_trend::tada:

deep-learning-book

Repository for "Introduction to Artificial Neural Networks and Deep Learning: A Practical Guide with Applications in Python"

deep-learning-papers-reading-roadmap

Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

deltavina

DeltaVina scoring function

django-storages

https://django-storages.readthedocs.io/

doc_downloader

下载豆丁、淘豆、道客巴巴、原创力、金锄头文档，并自动转换为PDF

drug_disease_target_mapping

Finding overlap in targets from disease and drugs.

e3fp

3D molecular fingerprints

getbox-pymol-plugin

A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

hosts

镜像：https://coding.net/u/scaffrey/p/hosts/git

ichemspace

inchi-js

InChI for the Browser

indigo

Universal cheminformatics libraries, utilities and database search tools