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1. sumo sumo Public

   Heavyweight plotting tools for ab initio calculations

   Python 254 88

2. ShakeNBreak ShakeNBreak Public

   Defect structure-searching employing chemically-guided bond distortions

   Python 126 26

3. doped 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 268 49

4. ThermoParser ThermoParser Public

   A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.

   Python 55 17

5. easyunfold easyunfold Public

   Band structure unfolding made easy!

   Python 67 15

6. galore galore Public

   Gaussian and Lorentzian smearing of simulated spectra

   Python 44 12