New molecules missing from cheese

ersilia-os / sars-cov-2-chemspace

This repository explores the chemical space associated with SARS-CoV-2 according to manually curated data at UB-CeDD

GNU General Public License v3.0

0 stars 0 forks source link

New molecules missing from cheese #5

Closed GemmaTuron closed 1 month ago

GemmaTuron commented 1 month ago

Hello @miquelduranfrigola

With so many changes in the source data is difficult to keep track of what are the correct files. I have cleaned up the Cheese results but these two inchikeys seem to be missing: ['VJEMOEYSQDKAQF-JDRYWMLESA-N', 'YTZALCGQUPRCGW-MXVXOLGGSA-N']

Can you check?

miquelduranfrigola commented 1 month ago

Hi @GemmaTuron have these been included?

GemmaTuron commented 1 month ago

they are now included, I will close this issue