Large language models as proxies for human experts in synthesis optimization

Notation matters: cross-representation inconsistency in chemistry language models and its mechanistic origins

Large language models (LLMs) are increasingly applied to molecular property prediction, but whether they encode notation-agnostic molecular representations or exploit surface-level string patterns re- mains untested. We present a dual-phase...

The Unreasonable Benchmark

Exploring Transition Metal Complexes with Large Language Models

Here we use a large language model for the exploration of chemical space of transition metal complexes (TMCs), fine-tuning the open-source Llama-3.2-1B model with a variation of the SMILES string...

Swarms of Large Language Model Agents for Protein Sequence Design with Experimental Validation

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge due to the vastness of sequence space and the complex coupling between sequence, structure, and...

Automatic evaluation of assessments using large language models

Croatian Language in the Transition from Neural Machine

provide high–quality translation capabilities for Croatian across dozens, if not hundreds, of language pairs.