chaidiscovery / chai-lab

Chai-1, SOTA model for biomolecular structure prediction
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how to use structural templates? #101

Open phbradley opened 1 day ago

phbradley commented 1 day ago

Hi there, I can't seem to find any examples that show how to create template features. We are trying to dock two proteins, one of which has an experimentally determined structure. The default inference script yields a poor prediction of that monomer's internal conformation, and a low-confidence dock. I was thinking that including template information for that monomer might improve the docking. Any little example (doesn't have to be extensive or perfectly documented) would be a big help. Thank you!

jackdent commented 5 hours ago

Hi Philip--we haven't got round to releasing code for templates yet. We still need to add some logic to populate the TemplateContext.