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  1. VASP-Elastic VASP-Elastic Public

    Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities

    Python 25 18

  2. Vasp-PV Vasp-PV Public

    A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation

    Shell 22 10

  3. SLMETools SLMETools Public

    Tools required to calculate the SLME of materials

    Python 11 5

  4. ElectronicLatticeMatch ElectronicLatticeMatch Public

    Heteroepitaxial lattice matching for electronic applications.

    Python 8 3

  5. explainable-trees explainable-trees Public

    An intro to training a decision tree model for materials band gap predicition and then using TreeExplainer to understand the model predictions.

    Jupyter Notebook 7

  6. machine-learning-for-materials-book machine-learning-for-materials-book Public

    Jupyter Notebook 7