Unable to load and featurize the pdbbind data (Chapter05/pdbbind_rf.py)

Hi,

I have been trying to run the revised code from the tutorial (Chapter05/pdbbind_rf.py). However, I could not load and featurize the pdbbind data from Molnet for some reason.

Please, refer to the line of code (from the tutorial) and the subsequent error message shown in the snapshot.

tasks, datasets,transformers = dc.molnet.load_pdbbind(featurizer=grid, splitter="random", subset="core")


Thank you in advance.

Woo-Jae

Start with Chapter05/pdbbind_rf.py and reproduce the dc.molnet.load_pdbbind call using the grid featurizer, random splitter, and core subset shown in the issue. Inspect the reported loading or featurization error; the issue is done when the PDBBind data loads and featurizes successfully.

Written by the indexing model from the issue text.