The article discusses the role of large language models (LLMs) in chemistry, focusing on tasks such as drug discovery and material science. Despite the remarkable capabilities of LLMs in natural…
Continue readingThis article delves into the use of Large Language Models (LLMs) in the field of chemistry. It discusses the complexities and innovations at this interdisciplinary juncture. The paper examines how…
Continue readingThe paper presents a new method called LTAU-FF for estimating the prediction uncertainty in atomistic force fields. The authors use model ensembles and cumulative distribution functions of per-sample errors to…
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