
Molecule.one is an AI-driven chemistry company focused on accelerating drug discovery and making chemistry predictable. They offer a suite of products and services, including direct-to-biology libraries, custom screening libraries, and M1 RetroScore, an AI-powered retrosynthesis tool. Their proprietary technologies include an HTE lab for reaction optimization, SpaceM1 for generating over a trillion de novo molecules, and MariaAI, an internal AI agent for automating molecular synthesis. The company aims to democratize chemistry, enabling faster discovery of novel medicines and reducing bottlenecks in industries like pharmaceuticals and agrochemicals. They have conducted over 200,000 reactions and are building superhuman models trained on extensive reaction datasets.

Molecule.one is an AI-driven chemistry company focused on accelerating drug discovery and making chemistry predictable. They offer a suite of products and services, including direct-to-biology libraries, custom screening libraries, and M1 RetroScore, an AI-powered retrosynthesis tool. Their proprietary technologies include an HTE lab for reaction optimization, SpaceM1 for generating over a trillion de novo molecules, and MariaAI, an internal AI agent for automating molecular synthesis. The company aims to democratize chemistry, enabling faster discovery of novel medicines and reducing bottlenecks in industries like pharmaceuticals and agrochemicals. They have conducted over 200,000 reactions and are building superhuman models trained on extensive reaction datasets.
Core offering: AI-driven synthesis planning (Maria™) plus high-throughput automated synthesis and on-demand compound services
Founded: 2016
Headquarters / presence: Warsaw, Poland; U.S. presence in Boston, MA
Notable traction: Reported seed raise of $4.6M (June 2021); >200,000 reactions conducted
| Company |
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Organic small-molecule synthesis planning and execution for drug discovery and related industries (pharmaceuticals, agrochemicals).
2016
Pharmaceutical Manufacturing
4600000
Reported seed round expanding the company's AI-driven drug synthesis platform
“AME Cloud Ventures; Atmos Ventures; Cherubic Ventures; Expeditions; Firlej Kastory; Grace; Inventures; Outsized Ventures; Possible Ventures; Sebastian Guth; Standard Industries; Sunfish Partners”