I'm not sure why this was sent to rdkit-discuss, but I just pushed a fix to github. Sorry for the hassles.
Pat On Tue, Feb 16, 2021 at 10:15 AM Mandar Kulkarni < mandar.kulkarni.c...@gmail.com> wrote: > Hi, > > I am trying to repeat the xgboost tutorial from here: > https://github.com/PatWalters/workshop/blob/master/predictive_models/simple_regression_model.ipynb > > when I try to fit training data as > > xgb.fit(list(train.fp),train.pIC50) > > > > > I am getting an error: > > AttributeError: 'list' object has no attribute 'shape' > > > > > I am tried to use an array of fingerprints as it is or as a NumPy array, > but I get a tuple index error. > > Please can anyone help me to solve this issue? Thanks in advance. > > Best Regards, > Mandar Kulkarni > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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