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final update
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Malikbadmus committed Mar 23, 2024
1 parent 2ebc593 commit a1b9480
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions model/framework/code/main.py
Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,7 @@ def my_model(smiles_list):
# write output in a .csv file
with open(output_file, "w") as f:
writer = csv.writer(f)
writer.writerow((["activity_10", "activity_20", "activity_40", "activity_60", "activity_80", "activity_100"])) # header
writer.writerow((["activity"])) # header
for o in outputs:
writer.writerow(o)
writer.writerow([o[0]])

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