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1. smiles-gpt smiles-gpt Public

   Generative Pre-Training from Molecules

   Jupyter Notebook 18 6

2. moleculegen-ml moleculegen-ml Public

   Generate novel molecules using neural language models

   Python 4 2

3. sparse-cheml sparse-cheml Public

   Molecular-property prediction with sparsity

   Python 2

4. scikit-fallback scikit-fallback Public

   Machine Learning with a Reject Option

   Python 1