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@qtchem

QTChem

Queen's Theoretical Chemistry @ FHZLab

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  1. shrec2025-ml-protein-surfaces shrec2025-ml-protein-surfaces Public

    Deep metric learning via triplet loss Siamese neural network and feed-forward classifier for imbalanced protein shape classification (SHREC 2025).

    Python 4

  2. neural-fingerprint neural-fingerprint Public

    Forked from HIPS/neural-fingerprint

    Convolutional nets which can take molecular graphs of arbitrary size as input.

    TeX 1

  3. temp temp Public

    Temporary public repo for accessing Jupyter noteboons through Google Colab

    Jupyter Notebook 1 2

  4. Promolecular Promolecular Public

    Python 1

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