ABOUT THE INSTITUTE

The NSF Molecule Maker Lab Institute (NSF-MMLI) is an interdisciplinary initiative with leaders in AI and organic synthesis intensively collaborating to create frontier AI tools, dynamic open access databases, and fast and broadly accessible small molecule manufacturing and discovery platforms. Advanced AI and machine learning (ML) methods enable the NSF-MMLI to achieve AI-enabled synthesis planning, catalyst development, molecule manufacturing, and molecule discovery.

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NEWS & EVENTS

July 30, 2025

The U.S. National Science Foundation has renewed its support for the Molecule Maker Lab Institute (MMLI) at the University of Illinois Urbana-Champaign with a new five-year, $15 million award. As a National AI Research Institute, MMLI is pioneering artificial intelligence tools that accelerate the discovery and synthesis of functional molecules for use in medicine, energy, and industry. Led by Professor Huimin Zhao, the institute has already produced impactful innovations like AlphaSynthesis and closed-loop molecule development systems, and it now aims to develop next-generation AI agents, including large language models for chemistry and generative tools for catalyst discovery.

May 23, 2025

Nearly 80 participants including our members, industrial partners, and other researchers from academia and industry joined us in-person and online for the MMLI Symposium 2025, held April 15–16 in the Auditorium of the NCSA at the University of Illinois in Urbana, Illinois. Centered on the theme “AI Scientists? What Would It Take?”, the event featured talks and panel discussions from academic, industry, and national lab researchers. Sessions explored foundational AI, small molecule discovery, and materials development, highlighting emerging opportunities at the frontier of AI-driven science. Recorded talks and event photos are now available.

This spring has been a season of recognition and advancement for the Document and Pattern Recognition Lab. Dr. Zanibbi delivered an invited talk at the Perimeter Institute’s Theory + AI Symposium alongside AI luminaries like Geoffrey Hinton, sharing work on ReactionMiner. He was also awarded RIT’s highest faculty research honor—the Trustees Scholarship Award—highlighting contributions to the MMLI. Meanwhile, DPRL PhD students are excelling, from high-impact internships to post-graduation positions at Meta and leading startups. Read on for the full story.

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BECOME AN INDUSTRY PARTNER

Join the NSF MMLI Industrial Partnership Program! The goal of this program is to provide the opportunity for a two-way exchange of information between the MMLI and industry researchers. Benefits include close collaboration with MMLI trainees, opportunities to give feedback on unpublished work, and more. We look forward to sharing tools and databases for more efficient synthesis and discovery of chemicals and materials for a wide range of applications.

EDUCATION SPOTLIGHT

Are you a high school teacher looking to incorporate chemistry + AI in your classroom or after school program? Learn more about our current and past projects, opportunities for field trip visits to the Molecule Maker at Beckman Institute, visits from NSF-MMLI to your classroom, or other partnership opportunities! Coming soon: Online resources, access to digital tools, sign up for our mail order kit, Molecule Maker Lab in a Box.

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