The ChatGPT, a lite and conversational variant of Generative Pretrained Transformer 4 (GPT-
4) developed by OpenAI, is one of the milestone Large Language Models (LLMs) with …

Many proteins exert their function by switching among different structures. Knowing the
conformational ensembles affiliated with these states is critical to elucidate key mechanistic …

How do large language models (LLMs) develop and evolve over the course of training?
How do these patterns change as models scale? To answer these questions, we introduce …

Recent advances in machine learning have leveraged evolutionary information in multiple
sequence alignments to predict protein structure. We demonstrate direct inference of full …

Memorization, or the tendency of large language models (LLMs) to output entire sequences
from their training data verbatim, is a key concern for deploying language models. In …

Abstract The AlphaFold Database Protein Structure Database (AlphaFold DB,
https://alphafold. ebi. ac. uk) has significantly impacted structural biology by amassing over …

Advanced AI models hold the promise of tremendous benefits for humanity, but society
needs to proactively manage the accompanying risks. In this paper, we focus on what we …

The design of novel protein structures remains a challenge in protein engineering for
applications across biomedicine and chemistry. In this line of work, a diffusion model over …

While AlphaFold2 can predict accurate protein structures from the primary sequence,
challenges remain for proteins that undergo conformational changes or for which few …

Artificial intelligence-driven advances in protein structure prediction in recent years have
raised the question: has the protein structure-prediction problem been solved? Here, with a …