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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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The `all_molecules.csv` file is not there anymore #6

Open miquelduranfrigola opened 1 month ago

miquelduranfrigola commented 1 month ago

Hi @GemmaTuron in the current version of the repository the all_molecules.csv file is not there anymore. Instead, we have a v1 and a v0. Can we decide on a single file and name it all_molecules.csv again? Many thanks!

GemmaTuron commented 1 month ago

Hi @miquelduranfrigola

The all_molecules.csv will be the final version but I still need to work on that to ensure we have the final set of molecules. V0 is the first set we had and V1 is the latest, but it contained many duplicates. Please wait until I have had time to sort out the issues with the source data from Fidele. The last push was clearly labelled as WIP