Deep Principle Secures Series A Funding to Advance AI for Materials Discovery
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BEIJING – Deep Principle, an AI for Science pioneer founded by an MIT-originated team, has raised over RMB 100 million in a Series A round. The financing was co...
BEIJING – Deep Principle, an AI for Science pioneer founded by an MIT-originated team, has raised over RMB 100 million in a Series A round. The financing was co-led by the Alibaba Entrepreneurs Fund – Greater Bay Area, managed by Gobi Partners, and Ant Group, with continued participation from Lenovo Capital, Taihill Venture, and Baidu Ventures.
The investment will accelerate the development of the company’s core platform, including Agent Mira™—an AI agent for autonomous materials discovery—and the expansion of its L4 high-throughput autonomous laboratory, the AI Materials Factory™. These technologies aim to reshape R&D workflows across new materials, fine chemicals, and energy sectors.
Deep Principle has gained recognition for its generative AI models published in leading journals such as Nature Computational Science and Nature Machine Intelligence. Its diffusion model, React-OT, achieves transition-state structure predictions in 0.4 seconds with high accuracy—dramatically faster than traditional quantum chemistry methods. The firm also integrates large language models (LLMs) for tasks such as generative design of transition metal complexes.
Since its founding, Deep Principle has secured over RMB 10 million in commercial contracts with industry leaders such as L'Oréal and Sunsea Innovation. Its ReactiveAI platform enables molecular design, reaction prediction, and formulation optimization through natural language commands.
The company is now building an integrated R&D loop combining AI prediction, simulation, and high-throughput experimentation—bringing AI for Science from concept to industrial reality.
