Improved Prediction for Methane Activation Mechanism on Rutile Metal Oxides
    by a Machine Learning Model with Geometrical Descriptors (submitted)

    Useful scripts for automatic generation and submission of VASP jobs.

    Structure files in cif and vasp-poscar format of all data used in paper.

    Data processing codes, including (percentile-)LASSO and figure plots.

    Some python and shell scripts written for practice.

    Some figure-plot codes for practice.

    Some scripts used on the server.