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Fix running with no calibration #11

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Merged
rodvrees merged 1 commit into from
May 5, 2025
Merged

Fix running with no calibration #11

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2 changes: 1 addition & 1 deletion im2deep/__init__.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
"""IM2Deep: Deep learning framework for peptide collisional cross section prediction."""

__version__ = "1.0.2"
__version__ = "1.0.3"
1 change: 1 addition & 0 deletions im2deep/__main__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -217,6 +217,7 @@ def main(
"No calibration file found. Proceeding without calibration. Calibration is HIGHLY recommended for accurate CCS prediction."
)
psm_list_cal_df = None
df_cal = None

if not output_file:
output_file = Path(psm_file).parent / (Path(psm_file).stem + "_IM2Deep-predictions.csv")
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