qmpy – Python library for the Open Quantum Materials Database, a first-principles computational database | MateriApps – A Portal Site of Materials Science Simulation

MIT license

利用環境	Required Django (https://www.djangoproject.com/) Numpy (http://www.numpy.org/) Scipy (http://www.scipy.org/) PyYAML (http://pyyaml.org/) python-MySQL (https://pypi.python.org/pypi/MySQL-python) python-memcached django-extensions PuLP (https://pythonhosted.org/PuLP/) Options matplotlib (http://matplotlib.org/) networkx (http://networkx.github.io/)
関連アプリ	OQMD: The Open Quantum Materials Database VASP
関連キーワード	Density functional method