how to get molecular graph features

Belated I am interested in deepchem that is an open-source deep learning toolkit for drug discovery. Deep-chem supported many features for chemoinformatics. And one of interested feature is calculation of molecular graphs. It is more primitive than hashed finger print. I tried to caluclate it. Currently the toolkit supports only linux, so I installed deepchemContinue reading “how to get molecular graph features”

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