Molecular property regression with Attentive FP #RDKit #Chemoinformatics #DGL #DeepGraphLibrary

Recently Molecular Graph based deep learning is hot are in chemoinformatics.Some months ago, Zhaoping et al. published new graph based QSAR model named ‘Attentive FP’ in JMC. As its name suggests, Attentive FP uses attention mechanism for its architecture. The authors disclosed their code. And fortunately, recent version of DGL is also Attentive FP!Its repositoryContinue reading “Molecular property regression with Attentive FP #RDKit #Chemoinformatics #DGL #DeepGraphLibrary”

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