Magnolia: A Persistent-Memory Agent Framework for Computational Chemistry

arXiv cs.AIOctober 21, 2026en

arXiv:2610.27230v1 Announce Type: new Abstract: Chemistry has recently entered a high-data regime as molecular databases from high-throughput platforms or computational studies have become available. Increasing automation within the chemical sciences leads to a more digital and precision chemistry. Dedicated scientific agents are becoming central to guiding the chemist through an ever-increasing amount of data and findings, including negative ones. Here, we introduce Magnolia, a persistent-memory artificial intelligence agent framework that integrates computational protocols, from docking to quantum chemistry, lab notebooks and chat logs relying on large language models (LLMs). It relies on

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