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pymatgen
pymatgen PublicForked from materialsproject/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 i…
Python
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atomate
atomate PublicForked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Python
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fireworks
fireworks PublicForked from materialsproject/fireworks
The Fireworks Workflow Management Repo.
Python
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mpmorph
mpmorph PublicForked from materialsproject/mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the M…
Python
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custodian
custodian PublicForked from materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
Roff
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emmet
emmet PublicForked from materialsproject/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
Python
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