metrics.csv after design.sh

[kimdn]

I just simply ran default input file/option of design.sh and obtained

metrics.csv as

But https://github.com/patrickbryant1/RareFold/blob/main/data/design_test_case/1ssc/metrics.csv

has cleaner numerals as

Therefore, I am curious how I can generate cleaner looking metrics.csv

Please be advised that I am not trying to be nitpicking at all.
I am just trying to improve RareFold as one of the early adopters.

I think that your group's contribution to peptide design field is great.

Thank you.

[patrickbryant1]

Hi,

Thanks! Yes, we simply merge the lists to get the other format. The former format makes tha data handling easier in the script.

We will add a script to convert the metrics to the second format next week.

Best,

Patrick

[patrickbryant1]

Hi,

Please see "#######Convert the design metrics to human readable format#######
python3 $BASE/src/convert_design_metrics_hr.py --raw_metrics $OUTDIR/metrics.csv
--outdir $OUTDIR"

in the runscript: https://github.com/patrickbryant1/RareFold/blob/main/design.sh

This calls https://github.com/patrickbryant1/RareFold/blob/main/src/convert_design_metrics_hr.py which simply lays out one of the replicate results per row (a replicate is one instance of the batch).

Best,

Patrick