Alán Aspuru‐Guzik

This study shows that fine-tuning protein models on text annotations improves their predictive power for function prediction tasks, outperforming BLAST in some cases.

DORA AI Scientist automates scientific research tasks and report generation using multi-agent AI systems and LLMs, reducing manuscript preparation time and enabling more focus on discovery.

AdaptiveFlow enables large-scale virtual screening of 69 billion molecules to discover validated FSP1 inhibitors, improving efficiency and scalability in drug discovery.

The paper compares the thermodynamic properties of biological and non-biological compounds in redox chemical space, finding metabolites have lower Gibbs energies and specific functional group enrichments.