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Merge pull request #218 from chemprop/bugfix_tutorial
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bugfix tutorial
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hesther committed Nov 2, 2021
2 parents 04ef57f + 1bfe85a commit fd6bda6
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions docs/source/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -278,7 +278,7 @@ If you only want to use the predictions :code:`preds` within the script, and not

import chemprop

smiles = [['CCC', 'CCCC', 'OCC']]
smiles = [['CCC'], ['CCCC'], ['OCC']]
arguments = [
'--test_path', '/dev/null',
'--preds_path', '/dev/null',
Expand All @@ -303,8 +303,8 @@ only load the chemprop model once, and then predict with the preloaded model (in

model_objects = chemprop.train.load_model(args=args)
smiles = [['CCC', 'CCCC', 'OCC']]
smiles = [['CCC'], ['CCCC'], ['OCC']]
preds = chemprop.train.make_predictions(args=args, smiles=smiles, model_objects=model_objects)

smiles = [['CCCC', 'CCCCC', 'COCC']]
smiles = [['CCCC'], ['CCCCC'], ['COCC']]
preds = chemprop.train.make_predictions(args=args, smiles=smiles, model_objects=model_objects)

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