pschwllr/MolecularTransformer

Error in Score_predictions.py

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Hello,

I was trying to use the score_predictions.py to get an idea of uncertainty in the predictions. But I keep getting the error below:

Traceback (most recent call last):
File "MolecularTransformer/score_predictions.py", line 73, in
main(opt)
File "MolecularTransformer/score_predictions.py", line 38, in main
test_df['prediction_{}'.format(i + 1)] = preds
File "/glb/data/cmsc01/ccb06/inang7/anaconda3/envs/mol_transformer/lib/python3.5/site-packages/pandas/core/frame.py", line 3119, in setitem
self._set_item(key, value)
File "/glb/data/cmsc01/ccb06/inang7/anaconda3/envs/mol_transformer/lib/python3.5/site-packages/pandas/core/frame.py", line 3194, in _set_item
value = self._sanitize_column(key, value)
File "/glb/data/cmsc01/ccb06/inang7/anaconda3/envs/mol_transformer/lib/python3.5/site-packages/pandas/core/frame.py", line 3391, in _sanitize_column
value = _sanitize_index(value, self.index, copy=False)
File "/glb/data/cmsc01/ccb06/inang7/anaconda3/envs/mol_transformer/lib/python3.5/site-packages/pandas/core/series.py", line 4001, in _sanitize_index
raise ValueError('Length of values does not match length of ' 'index')
ValueError: Length of values does not match length of index

Can you please help me to resolve the error?

Thank you