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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 3

  2. neural-fingerprint neural-fingerprint Public

    Forked from HIPS/neural-fingerprint

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

    TeX

  3. temp temp Public

    Temporary public repo for accessing Jupyter noteboons through Google Colab

    Jupyter Notebook 2

  4. Promolecular Promolecular Public

    Python

Repositories

Showing 4 of 4 repositories
  • 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).

    qtchem/shrec2025-ml-protein-surfaces’s past year of commit activity
    Python 3 0 0 0 Updated Aug 27, 2025
  • Promolecular Public
    qtchem/Promolecular’s past year of commit activity
    Python 0 0 0 0 Updated Aug 21, 2023
  • temp Public

    Temporary public repo for accessing Jupyter noteboons through Google Colab

    qtchem/temp’s past year of commit activity
    Jupyter Notebook 0 2 0 0 Updated Sep 8, 2022
  • neural-fingerprint Public Forked from HIPS/neural-fingerprint

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

    qtchem/neural-fingerprint’s past year of commit activity
    TeX 0 MIT 165 0 0 Updated Jan 23, 2018

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