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  1. g-c3n4_prediction g-c3n4_prediction Public

    Predict the free energy of exfoliation (deltaG_exf) in the process of liquid-phase exfoliation and free energy of solvation (deltaG_sol) in different organic solvents.

    Jupyter Notebook 1 1

  2. Nanomechanical_by_machine_learning Nanomechanical_by_machine_learning Public

    Examples and projects in the field of Computational Materials Science

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  3. DSc_Prj_Salary DSc_Prj_Salary Public

    A simple data science project for predicting salary of a particular job

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  4. mol2vec mol2vec Public

    Forked from samoturk/mol2vec

    Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

    Python