academic-kickstart

academic-v2

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

automatminer

An automatic engine for predicting materials properties.

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

covid-19

Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules. It is also a suite of ready-made UI components to render Materials Project data using the Dash framework from Plotly.

custodian

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

dixitmudit

dixitmuditk

fireworks

The Fireworks Workflow Management Repo.

gaussiantools

Some in-house tools for gaussian calculations

hugo-academic

📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!

matminer

data mining for Materials Science

md

ml_handson_srm

muditdixit

muditdixit.io

web

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.

pyqrc

Quick Reaction Coordinate using Python

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.