214 citations · 471 across the 7 of their papers we have counts for
7 papers
MDCrow: Automating Molecular Dynamics Workflows with Large Language Models
Quintina Campbell, Sam Cox, Jorge Medina +2
Molecular dynamics (MD) simulations are essential for understanding biomolecular systems but remain challenging to automate. Recent advances in large language models (LLM) have dem…
Aviary: training language agents on challenging scientific tasks
Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths +8
Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and exper…
Language agents achieve superhuman synthesis of scientific knowledge
Michael D. Skarlinski, Sam Cox, Jon M. Laurent +6
Language models are known to hallucinate incorrect information, and it is unclear if they are sufficiently accurate and reliable for use in scientific research. We developed a rigo…
PaperQA: Retrieval-Augmented Generative Agent for Scientific Research
Jakub Lála, Odhran O'Donoghue, Aleksandar Shtedritski +3
Large Language Models (LLMs) generalize well across language tasks, but suffer from hallucinations and uninterpretability, making it difficult to assess their accuracy without grou…
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…
ChemCrow: Augmenting large-language models with chemistry tools
Andres M Bran, Sam Cox, Oliver Schilter +3
Over the last decades, excellent computational chemistry tools have been developed. Integrating them into a single platform with enhanced accessibility could help reaching their fu…
Symmetric Molecular Dynamics
Sam Cox, Andrew D. White
We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crys…