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fix: minor sabdab bugs
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elkoz committed Dec 21, 2023
1 parent 692058a commit 57b81de
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Showing 2 changed files with 6 additions and 4 deletions.
4 changes: 2 additions & 2 deletions proteinflow/cli.py
Original file line number Diff line number Diff line change
Expand Up @@ -128,13 +128,13 @@ def download(**kwargs):
"--test_split",
default=0.05,
type=float,
help="The percentage of chains to put in the test set (default 5%)",
help="The fraction of chains to put in the test set (default 5%)",
)
@click.option(
"--valid_split",
default=0.05,
type=float,
help="The percentage of chains to put in the validation set (default 5%)",
help="The fraction of chains to put in the validation set (default 5%)",
)
@click.option(
"--pdb_snapshot",
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6 changes: 4 additions & 2 deletions proteinflow/download/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -459,14 +459,16 @@ def download_filtered_sabdab_files(
if sabdab_data_path is None:
try:
_download_sabdab_by_method(
methods=methods, resolution_thr=resolution_thr, tmp_folder=local_folder
methods=methods,
resolution_thr=resolution_thr,
local_folder=local_folder,
)
paths = [
os.path.join(local_folder, f"pdb_{'_'.join(method)}.zip")
for method in methods
]
except RuntimeError:
_download_sabdab_all(tmp_folder=local_folder)
_download_sabdab_all(local_folder=local_folder)
paths = [os.path.join(local_folder, "all_structures")]
sabdab_data_path = os.path.join(local_folder, "all_structures")
else:
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