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1. molinfo-vienna/aweSOM molinfo-vienna/aweSOM Public

   A GNN model for the prediction of SoMs in small organic molecules.

   Python 9 2

2. molinfo-vienna/AutoSOM molinfo-vienna/AutoSOM Public

   Automatically annotates the Sites of Metabolism (SoMs) of substrate-metabolite pairs.

   Python 7

3. molinfo-vienna/FAME3R molinfo-vienna/FAME3R Public

   FAME 3R: A Fast, Compact, Flexible, and Practical Re-Design of the FAME 3 Model for Predicting Sites-of-Metabolism

   Python 4 1

4. molinfo-vienna/NEAT molinfo-vienna/NEAT Public

   Autoregressive 3D molecular generation with a set transformer model.

   Python 3