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1. SUPRA SUPRA Public

   Conformer generation made simple.

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2. pymatgen pymatgen Public

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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 i…

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3. BAM-Project BAM-Project Public

   Repository of my 3-month internship in the Computational Materials Design group at the Federal Insitute for Material Research and Testing (BAM).

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4. LobsterPy LobsterPy Public

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5. revSUPRA revSUPRA Public

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6. MolFormulasMS MolFormulasMS Public

   Project for self-teaching coding. The idea is to compute all possible and chemically reasonable molecular formulas from a given mass peak of a electron ionization mass spectrum.

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