Graph convolution classification with deepchem

I posted about graph convolution regression using deepchem. And today, I tried graph convolution classification using deepchem. Code is almost same as regression model. The only a difference point is use dc.models.MultitaskGraphClassifier instead of dc.models.MultitaskGraphRegressor. I got sample ( JAK3 inhibitor ) data from chembl and tried to make model. At first I used pandasContinue reading “Graph convolution classification with deepchem”