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  1. WMD-group/PyTASER WMD-group/PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    Python 24 4

  2. SMTG-Bham/doped SMTG-Bham/doped Public

    doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…

    Python 117 30