primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Prioritize certain pairs in cron for test purposes. #283

Closed electronicsbyjulie closed 1 year ago

electronicsbyjulie commented 1 year ago

It's going to take too long waiting for the cron to get through OR1A1, then OR1A2, and so on in sequence. Here are some sample test pairs representing receptor ligand diversity, as well as details and nuances like similar molecules that have different activities for a receptor and similar receptors that have different activities for a ligand.

Hopefully this will give a clearer estimate of prediction accuracy without having to wait for hundreds of agonists.

primaryodors commented 1 year ago

Good idea!