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@MolChemML

MolChemML

Molecular and Chem Process Design with ML Research Group @ UCL

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  1. ExpDesign ExpDesign Public

    Supplementary material for "Discrete and mixed-variable experimental design with surrogate-based approach"

    Jupyter Notebook 6 1

  2. MOO-SDNBI MOO-SDNBI Public

    MATLAB

  3. Data-driven-Solvent-Design Data-driven-Solvent-Design Public

    Jupyter Notebook

  4. MEng-Research-Project- MEng-Research-Project- Public

    SolvMixture_base

    Python

  5. T-conditioning T-conditioning Public

    Temperature-conditioned molecular representation for organic solubility prediction [code, results]

    Python

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