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Pinned

  1. solubility_prediction solubility_prediction Public

    Exploring ML models to predict solubility of small organic compounds.

    Jupyter Notebook

  2. pka_classifier pka_classifier Public

    A Chemical Classifier using a Computer Vision Model

    Jupyter Notebook

  3. ml-model-api ml-model-api Public

    A FastAPI for hosting ML models

    Python

  4. active-learning active-learning Public

    Using active learning to speed up molecular scoring

    Jupyter Notebook