Great, now we have two random number generators.
On 03/11/2022 12:10, David J. Schuller wrote:
https://www.biorxiv.org/content/10.1101/2022.07.20.500902v2
<https://www.biorxiv.org/content/10.1101/2022.07.20.500902v2>
Evolutionary-scale prediction of atomic level protein structure with a
language model
<https://www.biorxiv.org/content/10.1101/2022.07.20.500902v2>
doi: https://doi.org/10.1101/2022.07.20.500902
Abstract
Artificial intelligence has the potential to open insight into the
structure of proteins at the scale of evolution. It has only recently
been possible to extend protein structure prediction to two hundred
million cataloged proteins. Characterizing the structures of the
exponentially growing billions of protein sequences revealed by large
scale gene sequencing experiments would necessitate a breakthrough in
the speed of folding. Here we show that direct inference of structure
from primary sequence using a large language model enables an order of
magnitude speed-up in high resolution structure prediction. Leveraging
the insight that language models learn evolutionary patterns across
millions of sequences, we train models up to 15B parameters, the
largest language model of proteins to date. As the language models are
scaled they learn information that enables prediction of the
three-dimensional structure of a protein at the resolution of
individual atoms. This results in prediction that is up to 60x faster
than state-of-the-art while maintaining resolution and accuracy.
Building on this, we present the ESM Metagenomic Atlas. This is the
first large-scale structural characterization of metagenomic proteins,
with more than 617 million structures. The atlas reveals more than 225
million high confidence predictions, including millions whose
structures are novel in comparison with experimentally determined
structures, giving an unprecedented view into the vast breadth and
diversity of the structures of some of the least understood proteins
on earth.
Competing Interest Statement
The authors have declared no competing interest.
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
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