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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 is currently the core analysis code powering the Materials Project.

HTML 842 642 Built by @shyuep @gmatteo @setten @mkhorton @wmdrichards 4 stars today
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microsoft / WhatTheHack

A collection of challenge based hack-a-thons including student guide, coach guide, lecture presentations, sample/instructional code and templates.

HTML 1,005 467 Built by @rsliang @jrzyshr @gfilicetti @ShivaKumarChittamuru @kiranvejendla 3 stars today