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

   Shell 21 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 7 3

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

   Jupyter Notebook 7

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