1) This is a demo of how deep learning using TensorFlow 2.0 can be used to assist in drug design. 2) It only contains a notebook for the implementation of a baseline model for the prediction of the partition coefficient given a simplified molecular-input line-entry system (SMILES) string of a chemical compound. 3) The requirements to run the notebook can be found in the requirements.txt

Built With

  • jupyter-notebook
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