fieldplay

CumuPy

A python code to compute the cumulante expansion of the Green's function for photoemission spectroscopy

academic-kickstart

avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

chebfun

Chebfun: numerical computing with functions.

Cirq

A python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits.

custodian

A simple, robust and flexible just-in-time job management framework in Python.

ga

Partitioned Global Address Space (PGAS) library for distributed arrays

ipympl

Matplotlib Jupyter Integration

jsoncpp

A C++ library for interacting with JSON.

learnxinyminutes-docs

Code documentation written as code! How novel and totally my idea!

material-components-ios

Modular and customizable Material Design UI components for iOS

material-components-web-components

Material Web Components - Material Design implemented as Web Components

matplotlib

matplotlib: plotting with Python

mongochemdeploy

Scripts to install/deploy the MongoChem server/web client

mongochemserver

Server code for MongoChem chemical data

nwchem

NWChem: Open Source High-Performance Computational Chemistry

oh-my-zsh

🙃 A delightful community-driven (with 1,300+ contributors) framework for managing your zsh configuration. Includes 200+ optional plugins (rails, git, OSX, hub, capistrano, brew, ant, php, python, etc), over 140 themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.

OpenFermion-Cirq

Quantum circuits for simulations of quantum chemistry and materials.

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pymatgen-db

Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.

pyrho

a python package for reduced density matrix techniques

qsim

Schrödinger and Schrödinger-Feynman simulators for quantum circuits.

qutip

QuTiP: Quantum Toolbox in Python

sampleproject

A sample project that exists for PyPUG's "Tutorial on Packaging and Distributing Projects"

spinw

SpinW Matlab library for spin wave calculation

sympy

A computer algebra system written in pure Python

tensorflow

An Open Source Machine Learning Framework for Everyone

tomviz

Cross platform, open source application for the processing, visualization, and analysis of 3D tomography data

yambo

This is the official GPL repository of the yambo code