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1. pymatgen pymatgen Public

   Forked 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…

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2. pymatgen-diffusion pymatgen-diffusion Public

   Forked from materialsvirtuallab/pymatgen-analysis-diffusion

   This add-on to pymatgen provides tools for analyzing diffusion in materials.

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3. atomate atomate Public

   Forked from hackingmaterials/atomate

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

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4. mpmorph mpmorph Public

   Forked 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…

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5. aimd aimd Public

   Forked from mogroupumd/aimd

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6. emmet emmet Public

   Forked from materialsproject/emmet

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