MengwuXiao

GetBox-PyMOL-Plugin

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

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-python-chemistry

A curated list of Python packages related to chemistry

CBE20255

Introduction to Chemical Engineering Analysis

chemdataextractor

Pipeline for automated extraction of chemical property information from scientific documents

deep-learning-book

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

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

e3fp

3D molecular fingerprints

hosts

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

ichemspace

IUPAC_SMILES_plus

IUPAC SMILES+ Specification

jupyter

Jupyter metapackage for installation, docs and chat

machine-learning-python

機器學習: Python

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

molvec

A feeble attempt at molecular recognition (in the literal sense)

mordred

a molecular descriptor calculator

notebook

Index of API , study notes.

ochem_predict_nn

PIDGINv3

Protein target prediction using random forests and reliability-density neighbourhood analysis

plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files

ProDy

A Python Package for Protein Dynamics Analysis

py4chemoinformatics

Python for chemoinformatics

Python-100-Days

Python - 100天从新手到大师

rdkit

The official sources for the RDKit library

Reflex3D

3D flexible alignment of molecules.

ScreenToGif

🎬 ScreenToGif allows you to record a selected area of your screen, edit and save it as a gif or video.

stanford-tensorflow-tutorials

This repository contains code examples for the Stanford's course: TensorFlow for Deep Learning Research.