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  1. Machine-learning-for-Cu-CO2RR Machine-learning-for-Cu-CO2RR Public

    This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst for Selective Electrochemical CO2 Reduction" from XMU Wang-group.

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  2. CPC-code CPC-code Public

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  3. TPAML TPAML Public

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  4. 2D-XRD-Modelling 2D-XRD-Modelling Public

    This code is based on matlab for PXRD (Powder X-ray Diffraction) simulation.

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  5. random-forest-for-Hf-BTB-MOL random-forest-for-Hf-BTB-MOL Public

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  6. wSterimol wSterimol Public

    Forked from patonlab/wSterimol

    Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

    Python