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Popular repositories Loading

  1. VASP-Elastic VASP-Elastic Public

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

    Python 24 18

  2. Vasp-PV Vasp-PV Public

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

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  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 7 3

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

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  6. 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 6