Nature

Crystal structure generation with autoregressive large language modeling

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. However, most current methods for crystal ...
Nature

Single-sequence protein structure prediction using supervised transformer protein language models

Significant progress has been made in protein structure prediction in recent years. However, it remains challenging for AlphaFold2 and other deep learning-based methods to predict protein structure ...
Ars Technica

Large language models also work for protein structures

The success of ChatGPT and its competitors is based on what’s termed emergent behaviors. These systems, called large language models (LLMs), weren’t trained to output natural-sounding language (or ...