Modeling protein-protein binding is still a massively unsolved problem, mainly because we don't really have the data. Alphafold2 was great but didn't actually 'solve' protein-folding as all input data is from single 'state' X-ray crystallography of the proteins, not 'really' how these proteins behave in the wild. So it's still very, very had to predict what binds to what, which of course is a multi-billion-dollar industry.
I work in a pharma-field and I wish we could easily design molecular binders. We still spend millions every year finding targets that could 'smuggle' our drugs into cells.
Some other players in this field are Boltz Lab and Isomorphic Labs (the Alphafold Google spinoff led by Hasabi). None of them can predict anything complex or 'big', everything is peptide-level. OP's work is another step towards something better.
The most interesting part in the preprint is that they find no matches for their designed binders in the world-write protein database. An open question with protein-designers is whether they just regurgitate training material, which is far easier to test with English-language models.
also 3 paper coauthors walked thru it with us: https://youtu.be/4g1bURdKN0Q
all this is part of the new AI for Science effort we are spinning up at Latent Space - all guidance and support would be greatly appreciated as this is a much harder domain to cover than software
Okay, now you have my attention.
What's the deal on the company behind it? “Biohub is a 501(c)(3) biomedical research organization...” Nonprofit. Nifty!
This all sounds great, but as we have recently seen with, say OpenAI, there is nonprofit and then there is nonprofit. Anyone know which Biohub is?
I did have a bit of fun myself finetuning esm2 in domain specific bacteria (cause it gives better score) and comparing it to another model (self created) and self created beat it at 25% more accuracy. Then for the 3d structure was coded a 3d protein visualizer hypergraph with the upload file option and visualize instantly the result. 2 days job :)
Huh, appears to be actually open source, that's a pleasant surprise. Usually these academic models have some weird license attached to them.
a scientific engine for prediction, design, and discovery that can map proteins across the tree of life, predict their structures, and design new protein binders that function in laboratory experiments.
So, my issue with this is just like in a lot of the other areas of bio we're not able to explore outside the semantics of what is "known." Even a simpler task of just doing proper assembly is plagued by this. De Novo assembly of an alien/novel organism mixed with samples from other alien organisms would be impossible with what we can do today. Even with things that we're familiar we struggle with metagenomic assembly.