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🍦 Sweet and creamy print debugging.

Python 996 24 Updated Feb 22, 2019
Python 1 1 Updated Apr 22, 2019

data mining for Materials Science

HTML 143 70 Updated Apr 24, 2019

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 managemen…

Python 22 34 Updated Apr 9, 2019

The Fireworks Workflow Management Repo.

Python 154 105 Updated Apr 24, 2019

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

Python 69 69 Updated Apr 9, 2019

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

Roff 37 52 Updated Apr 14, 2019

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 i…

Propeller Spin 406 355 Updated Apr 25, 2019
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