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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 11 months ago

AlexWindels commented 12 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 11 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 11 months ago

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