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1. Frontiers_MedChem Frontiers_MedChem Public

   Jupyter Notebook

2. ChI-SOM ChI-SOM Public

   ChemInformatics SOM Toolkit

   Python 3 1

3. intro_pharma_ai intro_pharma_ai Public

   A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.

   Jupyter Notebook 163 35

4. myerson myerson Public

   A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.

   Python 6 1

5. kinase_nnfp kinase_nnfp Public

   Code to generate kinase-specific fingerprints based on the ECFP4 1024bits

   Python 6 5