# AI Institute for Molecular Discovery, Synthetic Strategy, and Manufacturing: Molecule Maker Lab Institute (MMLI)

> **NSF 01002930DB NSF RESEARCH & RELATED ACTIVIT** · University of Illinois at Urbana-Champaign (IL) · $15,000,000

## Abstract

Over nearly two centuries, molecular synthesis has transformed the world by creating new molecular entities that have improved quality of life around the globe. This enterprise currently requires access to highly sophisticated equipment and extensive training. Established in 2020, the NSF Molecule Maker Lab Institute (MMLI) is dedicated to developing AI tools, automated workflows, and educational resources for the next generation of molecular innovators that will accelerate molecular discovery and broaden access to the expertise and sophisticated mechanics of molecular synthesis. The second phase of the institute (MMLI 2.0) focuses on the development and application of new foundational AI methods and generative AI models for molecule discovery and synthesis, as well as the dissemination of these tools to a broad research community. Synergistically, these activities are advancing the frontiers of AI with data requirements unique to molecular synthesis. MMLI2.0 further seeks to train a next-generation workforce with a unique set of skills in AI, chemistry, and robotics. This new generation of molecule makers represents the vanguard of innovators who will enable more efficient manufacturing and discovery of molecules with important functions and broaden access to the small molecule making process, achieving a powerful impact on the U.S. research community. 

Functional molecules play a critical role in addressing many grand challenges facing society today. However, the process

## Key facts

- **NSF award ID:** 2505932
- **Awardee organization:** University of Illinois at Urbana-Champaign (IL)
- **SAM.gov UEI:** Y8CWNJRCNN91
- **PI:** Huimin Zhao
- **Primary program:** 01002930DB NSF RESEARCH & RELATED ACTIVIT
- **All programs:** Artificial Intelligence (AI), Biotechnology, COMPUTATIONAL SCIENCE & ENGING
- **Estimated total:** $15,000,000
- **Funds obligated:** $4,000,000
- **Transaction type:** Cooperative Agreement
- **Period:** 09/01/2025 → 08/31/2030

## Primary source

NSF Award Search: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2505932

## Citation

> US National Science Foundation, Award 2505932, AI Institute for Molecular Discovery, Synthetic Strategy, and Manufacturing: Molecule Maker Lab Institute (MMLI). Retrieved via AI Analytics 2026-06-08 from https://api.ai-analytics.org/grant/nsf/2505932. Licensed CC0.

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