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mdi-group

lo-fi ai for materials design and optimisation @ ucl chemistry

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  1. iisc-ml-school iisc-ml-school Public

    Materials for the ML schools at IISC 2025

    Jupyter Notebook 14 9

  2. mace-field mace-field Public

    Forked from ACEsuit/mace

    MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric properties.

    Python 13

  3. interpretable-ml-neutron-spectroscopy interpretable-ml-neutron-spectroscopy Public

    A repository of code associated with the publication _Interpretable, calibrated neural networks for analysis and understanding of neutron spectra_

    Jupyter Notebook 6

  4. gp-net gp-net Public

    Jupyter Notebook 1 1

  5. 2025-04-mace-field 2025-04-mace-field Public

    Jupyter Notebook 1

  6. mace-field-tutorial mace-field-tutorial Public

    A tutorial on how to use MACE field.

    Jupyter Notebook 1 1

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