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  1. Chem_and_nonChem_ML_projects Chem_and_nonChem_ML_projects Public

    This repository contains various exercises and projects (from begginer to advanced level). New exercises and projects are being added on a regular basis. Python Packages: Pandas, Sklearn, TensorFlo…

    Jupyter Notebook

  2. Catalysis_ML_projects Catalysis_ML_projects Public

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  3. Adsorption_Energy_Calculations Adsorption_Energy_Calculations Public

    This repository includes output files of conducting DFT calculations for some organic small molecules on pure Pd(111), B2-CuPd-Cu, B2-CuPd-Pd and B2-CuPd@Pd catalysts.

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