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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
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Annotation columns for manually-curated molecules #3

Open miquelduranfrigola opened 1 month ago

miquelduranfrigola commented 1 month ago

We need to annotate manually-curated molecules with the following information:

All of this should go in a tabular format, either produced from MOE or as a CSV file.

miquelduranfrigola commented 1 month ago

@GemmaTuron can we close this issue?

GemmaTuron commented 1 month ago

This is still being worked out by Fidele