Research Overview

With a interdisciplinary team of chemists and computer scientists, the MMLI will create frontier AI tools, dynamic open access databases, and fast, broadly accessible small molecule manufacturing and discovery platforms. Advanced AI and machine learning (ML) methods will be developed and deployed in the context of four key research Thrusts:

Thrust 1: AI-Enabled Synthesis Planning	Thrust 2: AI-Enabled Catalyst Discovery
Thrust 3: Al-Enabled Manufacturing of Target Molecules and Materials	Thrust 4: AlphaSynthesis Enabled Discovery of Novel Molecules and Materials