Skip to content

Commit

Permalink
remove lint
Browse files Browse the repository at this point in the history
  • Loading branch information
kjappelbaum committed Feb 16, 2024
1 parent f052a2b commit 34b095e
Show file tree
Hide file tree
Showing 2 changed files with 3 additions and 1 deletion.
1 change: 1 addition & 0 deletions data/check_pandas.py
Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@
This script has a command line interface. You can run it using `python check_pandas <data_dir>`,
where `<data_dir>` points to a nested set of directories with `data_clean.csv` files.
"""

import os
from glob import glob
from pathlib import Path
Expand Down
3 changes: 2 additions & 1 deletion data/postprocess_split.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,7 @@
An independent check (that does not rewrite files is `check_smiles_split.py` this checks also for compliance with the predetermined files)
"""

import os
from glob import glob
from pathlib import Path
Expand Down Expand Up @@ -185,7 +186,7 @@ def process_file(file: Union[str, Path], id_cols):
len(this_test_smiles.intersection(this_val_smiles)) == 0
), f"Smiles in test and valid for {id}"

df.to_csv(os.path.join(dir,"data_clean.csv"), index=False)
df.to_csv(os.path.join(dir, "data_clean.csv"), index=False)


def process_all_files(data_dir):
Expand Down

0 comments on commit 34b095e

Please sign in to comment.