Closed vineetbansal closed 4 months ago
df.to_csv(output_file, index=False)
should be
unique.to_csv(output_file, index=False)
Downstream steps need to be redone since process-tabulated-molecules takes the first match out of each fold. Thanks @anushka255 for pointing this out!
process-tabulated-molecules
fixed in commit 08a8d3b499f476d90a9197c8afbaa97d5003e1b8
should be
Downstream steps need to be redone since
process-tabulated-molecules
takes the first match out of each fold. Thanks @anushka255 for pointing this out!