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no splits file for aug data - it must use org splits
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2 files changed

+1
-24
lines changed

2 files changed

+1
-24
lines changed

chebai/preprocessing/datasets/base.py

Lines changed: 1 addition & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -1010,8 +1010,7 @@ def _generate_dynamic_splits(self) -> None:
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combined_split_assignment = pd.concat(split_assignment_list, ignore_index=True)
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combined_split_assignment.to_csv(
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os.path.join(self.processed_dir_main, self.splits_file_name),
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index=False,
1013+
os.path.join(self.processed_dir_main, "splits.csv"), index=False
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)
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# Store the splits in class variables
@@ -1271,13 +1270,3 @@ def processed_file_names_dict(self) -> dict:
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if self.n_token_limit is not None:
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return {"data": f"data_maxlen{self.n_token_limit}.pt"}
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return {"data": "data.pt"}
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@property
1276-
def splits_file_name(self) -> str:
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"""
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Returns the name of the splits file.
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Returns:
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str: The name of the splits file.
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"""
1283-
return "splits.csv"

chebai/preprocessing/datasets/chebi.py

Lines changed: 0 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -660,18 +660,6 @@ def processed_file_names_dict(self) -> dict:
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}
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return {"data": f"aug_data_var{self.aug_smiles_variations}.pt"}
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@property
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def splits_file_name(self) -> str:
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"""
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Returns the name of the splits file.
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Returns:
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str: The name of the splits file.
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"""
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if self.augment_smiles:
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return f"aug_splits_var{self.aug_smiles_variations}.csv"
673-
return super().splits_file_name
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675663

676664
class JCIExtendedBase(_ChEBIDataExtractor):
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@property

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