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Popular repositories Loading

  1. Chemical-Data-Processing Chemical-Data-Processing Public

    Various types of simulated/experimental chemical data are processed and analyzed. Examples are given using spectra, images and chemical structures.

    MATLAB

  2. Chemical-Theory-and-Computation Chemical-Theory-and-Computation Public

    Examples are provided to demonstrate new theoretical frameworks to model dynamical chemical systems.

    Fortran

  3. Chemical-ML-and-DL Chemical-ML-and-DL Public

    Machine Learning (ML) and Deep Learning (DL) networks are built to demonstrate how predictive models are implemented on various types of chemical data.

    Jupyter Notebook