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1. GAUSS GAUSS Public

   VAE model for the design of record breaking single molecule magnets with applications in spintronics and quantum dots.

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2. TCD_ML_course TCD_ML_course Public

   Machine learning course materials containg a deep learning model on water molecule configurations and a simple vae model generating isomers using QM9 dataset.

   Jupyter Notebook

3. Photo_Recognition_Chihuahua_muffin Photo_Recognition_Chihuahua_muffin Public

   Fun photo recognition exercise for transition year students at TCD. The model uses CNN to distinguish between chihuahuas and muffins.

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4. XYZ_to_SMILES XYZ_to_SMILES Public

   Quick and handy sets of codes to convert XYZ files to SMILES strings.

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