The Fireworks Workflow Management Repo.
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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.
A python wrapper for the DFT code octopus (http://tddft.org/programs/octopus)
PyGrid provides a map-like interface for job submissions to gridengine clusters
Python function as pipeline jobs.