General-purpose foundation models outperform specialized chemical FMs on property prediction with scarce data
A new arXiv study compares specialized chemical foundation models (ChemBERTa, MoLFormer) with general-purpose models (GPT-6 Astra, Claude Opus 5.5) on chemical property prediction tasks. With only 60 experimental datapoints, GPT-6 Astra outperforms the chemical FMs on five regression tasks. Chemical FMs only match Astra's performance when given 10x more data, suggesting general-purpose models are better for data-scarce chemistry research.
Why it matters: This finding challenges the common assumption that domain-specific models are superior in specialized fields, offering practical guidance for researchers in chemistry and AI.