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generatebio / chroma

A generative model for programmable protein design
Apache License 2.0
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Conditioning on AA composition #20

Closed AlexWindels closed 7 months ago

AlexWindels commented 7 months ago

Hi,

Amazing work you all did developing Chroma. Whilst playing around, I was wondering if there's a way to condition the sequence/structure on residue content. So for example if it is possible to bias the composition towards alanine and serine, representing x% and y% of all residues respectively?

Best,

Alex

wujiewang commented 7 months ago

Hey, that is an interesting idea! You could try this by modifying the SequenceConditioner and compute a differential restraint energy that penalize deviation from target composition, not sure how well that will work though, but an interesting project idea for our Condition ecosystem!

wujiewang commented 7 months ago

Closing this for now, but feel free to reopen if you have more to discuss.