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Lawrence Berkeley National Laboratory
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materialsproject/mpmorph
materialsproject/mpmorph PublicMPmorph 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…
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materialsproject/pymatgen
materialsproject/pymatgen PublicPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
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materialsproject/maggma
materialsproject/maggma PublicBuilding blocks for scientific data pipelines
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