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deactivate dropout
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sfluegel committed Dec 4, 2023
1 parent afb4fbb commit 21937f6
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1 change: 1 addition & 0 deletions chebai/trainer/InnerCVTrainer.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,6 +57,7 @@ def predict_from_file(self, model: LightningModule, checkpoint_path: _PATH, inpu
loaded_model= model.__class__.load_from_checkpoint(checkpoint_path)
with open(input_path, 'r') as input:
smiles_strings = [inp.strip() for inp in input.readlines()]
loaded_model.eval()
predictions = self._predict_smiles(loaded_model, smiles_strings)
predictions_df = pd.DataFrame(predictions.detach().numpy())
if classes_path is not None:
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