Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

first sequence than structure or the other way around #141

Open
l-i-g opened this issue Nov 15, 2024 · 1 comment
Open

first sequence than structure or the other way around #141

l-i-g opened this issue Nov 15, 2024 · 1 comment

Comments

@l-i-g
Copy link

l-i-g commented Nov 15, 2024

Thanks for providing this comprehensive model open-source.

I was wondering what the correct sequence of predictions is:

In your examples, e.g. with the Carbonic Anhydrase (2vvb) the following order is used:

   masked sequence prompt => predicted sequence track => predicted backbone structure

For the GFP evolution gfp_design.ipynb (related to your publication) the order is:

  heavily masked sequence & masked structure => structure tokens =>  generated sequence tokens ==> purged structure tokens => freshly generated structure token

In my particular case I have a heavily masked sequence track with the unmasked amino acids with coordinates provided and a secondary structure track with only a few masked position. Is it better to to first predict the structure or first predict the sequence?

Or more general: Is their a general rule which track should be predicted first?

Thanks for any feed-back

@ebetica
Copy link
Contributor

ebetica commented Dec 4, 2024

Unfortunately, I don't have a general rule on which tracks to sample. It differs from prompt to prompt, and also depends on what you're trying to predict. If you're looking at a problem that's very structural, then first predicting structure tokens is the way to go.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants