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RosettaCommons / protein_generator

Joint sequence and structure generation with RoseTTAFold sequence space diffusion
https://huggingface.co/spaces/merle/PROTEIN_GENERATOR
MIT License
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Are structure based potentials supported? #10

Open amin-sagar opened 11 months ago

amin-sagar commented 11 months ago

Hello. Thanks again for this amazing work. The sequence based potentials are really useful. I am wondering if it's also possible to have structure based potentials. For example, if I want certain residues to be close to each other in the designs, can this be encoded in a structure based potential or bias? Best, Amin.

0merle0 commented 11 months ago

Hi, this is something that can be possible, if you are familiar with hallucination type approaches for design this is something that could be worth trying here as a potential, if you're interested in setting something like this up, I am happy to chat and explain more!

amin-sagar commented 11 months ago

Thanks @0merle0 That would be very helpful. I am certainly interested in implementing this. Please let me know how we can connect.

0merle0 commented 11 months ago

Hi sorry for the late reply, if you send me an email with your availability we can set up a time to zoom: jgershon@uw.edu