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lines changed Original file line number Diff line number Diff line change 99from torch .nn .utils .rnn import pad_sequence
1010
1111from chebai .loggers .custom import CustomLogger
12- from chebai .preprocessing .reader import CLS_TOKEN , ChemDataReader
12+ from chebai .preprocessing .reader import CLS_TOKEN , ProteinDataReader
1313
1414log = logging .getLogger (__name__ )
1515
@@ -99,22 +99,22 @@ def predict_from_file(
9999 predictions_df .to_csv (save_to )
100100
101101 def _predict_smiles (
102- self , model : LightningModule , smiles : List [str ]
102+ self , model : LightningModule , sequence : List [str ]
103103 ) -> torch .Tensor :
104104 """
105105 Predicts the output for a list of SMILES strings using the model.
106106
107107 Args:
108108 model: The model to use for predictions.
109- smiles: A list of SMILES strings .
109+ sequence: Protein sequence .
110110
111111 Returns:
112112 A tensor containing the predictions.
113113 """
114- reader = ChemDataReader ()
115- parsed_smiles = [reader ._read_data (s ) for s in smiles ]
114+ reader = ProteinDataReader ()
115+ parsed_sequence = [reader ._read_data (s ) for s in sequence ]
116116 x = pad_sequence (
117- [torch .tensor (a , device = model .device ) for a in parsed_smiles ],
117+ [torch .tensor (a , device = model .device ) for a in parsed_sequence ],
118118 batch_first = True ,
119119 )
120120 cls_tokens = (
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