Visualize atom weight of AttentiveFP #DGL #RDKit #Chemoinformatics

Yesterday, I posted an example of DGL (almost same as original example code). And I could make regression model with my own dataset. Fortunately DGL developer provides a code for visualize atom weights of trained model. It means that, after building the model with AttentiveFP, you can visualize atom weight of the give molecule whichContinue reading “Visualize atom weight of AttentiveFP #DGL #RDKit #Chemoinformatics”

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