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Sidechains in output

Open BJHardy opened this issue 1 year ago • 7 comments

Would it be possible to implement a function to generate all-atom PDB outputs including sidechains?

BJHardy avatar Jul 12 '24 11:07 BJHardy

same questions

v-shaoningli avatar Jul 15 '24 08:07 v-shaoningli

same questions. I was reading the source code and found that sidechain's output is simply extended by backbone coords, but there is no real prediction. But in the paper, the stage2 training of the vqvae is full atom training and prediction.

fuxuliu avatar Jul 15 '24 09:07 fuxuliu

We're currently not releasing the all-atom structure decoder. It'll will be available via the API only.

ebetica avatar Jul 18 '24 16:07 ebetica

Thanks for the info!

So, just to clarify, only those with access to the larger model via the Forge API can get full-atom outputs? If so, could you please make this available to all in a future release?

BJHardy avatar Jul 18 '24 17:07 BJHardy

I think even the open source model through the Forge API will have full-atom outputs. We're still figuring out the API access details but stay tuned, you'll have access to it soon.

ebetica avatar Jul 18 '24 20:07 ebetica

Of cause this feature is needed. It's awkward to see only backbone coordinates in the output, especially after mentioning "atom37 representation" in the tutorial

batch2k avatar Nov 13 '24 11:11 batch2k

Yea release the full version please literally no reason to hide a sidechain decoder lol

Harrydirk41 avatar Feb 03 '25 16:02 Harrydirk41