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Thanks for the development of QSARtuna, it's very useful.
I tried the code in notebook/QSARtuna_Tutorial.ipynb,chemprop.predict_from_smiles reports error when explain is set to True.
chemprop.predict_from_smiles(df[config.data.input_column].head(5), explain=True)
and Error happen:
/mambaforge/envs/qsartuna/lib/python3.10/site-packages/pandas/core/internals/construction.py", line 420, in _check_values_indices_shape_match
raise ValueError(f"Shape of passed values is {passed}, indices imply {implied}")
ValueError: Shape of passed values is (2, 4), indices imply (2, 1)
Did I miss something?
Eric
The text was updated successfully, but these errors were encountered:
Hi Eric, this is strange because the example in the Notebook is working to build the documentation. Please can you run the example Notebook in order on your system and confirm that the Explainability section is able to execute?
Hi,
Thanks for the development of QSARtuna, it's very useful.
I tried the code in notebook/QSARtuna_Tutorial.ipynb,chemprop.predict_from_smiles reports error when explain is set to True.
Did I miss something?
Eric
The text was updated successfully, but these errors were encountered: