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🍦 Sweet and creamy print debugging.
data mining for Materials Science
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…
The Fireworks Workflow Management Repo.
atomate is a powerful software for computational materials science and contains pre-built workflows.
A simple, robust and flexible just-in-time job management framework in Python.
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…