«Just ask»: Agentic Pilot to empower chemists

Large Language Model agents capable of using software tools have recently surged in capability and popularity in the data science domain, but remain under-used in the physical sciences. We develop Agentic Pilot, a visual user interface built on LangGraph, to help fill this gap. Agentic Pilot enables the intuitive development of complex agentic workflows, allowing even small LLMs to perform industrially relevant tasks such as executing computational screening calculations or querying electronic lab notebook databases via natural language. In this work, we present Agentic Pilot and provide an industrial perspective on the future of LLM-based agentic workflows in chemistry.