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2d_gaussian

alchemlyb

the simple alchemistry library

altair

Declarative statistical visualization library for Python

amberutils

Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods

astroml

Machine learning, statistics, and data mining for astronomy and astrophysics

autodock-vina

AutoDock Vina

autopack

awesome-courses

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

awesome-cv

:page_facing_up: Awesome CV is LaTeX template for your outstanding job application

awesome-machine-learning

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

awesome-python-chemistry

A curated list of Python packages related to chemistry

bar_chart_race

Create animated bar chart races in Python with matplotlib

bigdata_ai_drugdiscovery

A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.

biopycourse

Python short course for graduates in biology and biochemistry

bkit

bokeh

Interactive Web Plotting for Python

chemlab

The chemistry library you were waiting for

core

Gibbon is a flexible, open source school management platform designed to make life better for teachers, students, parents and leaders.

cpptraj

Biomolecular simulation trajectory/data analysis.

data-science--cheat-sheet

Cheat Sheets

data-science-ipython-notebooks

Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.

datasciencepython

common data analysis and machine learning tasks using python

datascienceresources

Open Source Data Science Resources.

dataviz

A book covering the fundamentals of data visualization.

ddt

A toolkit for drug discovery research

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

do_x3dna

To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories

docker-rosario

A Dockerfile that installs the latest RosarioSIS.

eular

This is solutions of "Project Eular" in python

fastbook

Draft of the fastai book