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ford

Automatically generates FORtran Documentation from comments within the code.

git-extras

GIT utilities -- repo summary, repl, changelog population, author commit percentages and more

greenx

h_pseudo

htgw

Package for automatic GW calculations.

ifermi

Fermi surface generation, analysis and visualisation.

ipython

Official repository for IPython itself. Other repos in the IPython organization contain things like the website, documentation builds, etc.

ipython-notebook-extensions

Some js extension for IPython notebook

jupyter-jsmol

jupyterlab

JupyterLab computational environment. This is a very early preview, and is not suitable for general usage yet.

maggma

MongoDB aggregation machine

minimax_paper

mkdocs

Project documentation with Markdown.

mkdocs-material

A Material Design theme for MkDocs

mongoengine

A Python Object-Document-Mapper for working with MongoDB

monty

This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

nbjsmol

netcdf-fortran

Official GitHub repository for netCDF-Fortran libraries, which depend on the netCDF C library. Install the netCDF C library first.

netcdf4-python

netcdf4-python: python/numpy interface for NetCDF4

nglview

Jupyter widget to interactively view molecular structures and trajectories

oncvpsp

Pseudopotential development

panel

A high-level app and dashboarding solution for Python

phononwebsite

Visualise lattice vibrations

phonopy

Phonon code

pseudodojo_pqdft_2019

pseudos_ac_she

pseudos_li_ga

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.

qagate