Making Molecules.
Discovering Chemistry.
Access Novel Molecules On-Demand
Order previously inaccessible, diverse compounds with rapid turnaround.

Empower Your In-House Chemistry
License Maria™, our platform, to design better synthesis plans and conditions internally.

The Problem
Small molecule synthesis is slowing your discovery process.
- CRO costs are spiraling out of control.
- Compounds from on-demand spaces offer limited diversity.
- In-house synthesis simply isn't a scalable solution.
There has to be a better way.

The Solution
Maria™
a high-throughput robotic synthesis platform orchestrated by our frontier AI

We mapped chemical reactivity with over 300,000 microliter experiments, capturing reaction patterns that go far beyond human intuition.
The result is a superhuman AI that achieves remarkably high synthesis success rates using an incredibly diverse set of building blocks.
We are democratizing access to Maria's unique capabilities.
Partner with us in two key ways:
1Access Novel Molecules On-Demand

Order from our HTE-first SpaceM1
Get diverse, novel molecules at the <1 mg or 1–10 mg scale. Compounds are delivered purified or ready for direct-to-biology screening.
Leverage our End-to-End Discovery Service
Have a well-defined target and assay? We can deliver compounds with confirmed biological activity, managing the process from design to validation.
2 Empower Your In-House Chemistry

License Maria's AI
Integrate the world's best AI for retrosynthesis planning and condition recommendation models directly into your workflow to help your teams make better and faster synthesis decisions.
M1 RetroScore powered by CAS
Solve Your Toughest Synthesis Challenges
We can develop custom AI models, trained on bespoke HTE data, to discover novel reaction conditions and overcome your most persistent chemistry roadblocks.
Testimonials
Top TechBioMolecule.one chemistry already surpasses what we have been able to get from [redacted]. The diversity of your building blocks and chemistry is way better.
”
Brenda Kelly, President of Materials Technologies, W. R. Grace & Co.Molecule.one has pushed the boundaries of retrosynthesis prediction, making it more precise, accessible, and, most importantly, scalable. […] We are always evaluating ways to leverage technology to advance the industries we operate in. Molecule.one's technology does exactly that—creating faster, more efficient ways to produce fine chemicals, which will ultimately accelerate the development and production of pharmaceuticals
”
Papers
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph EditsJCIM, 2021
10× Higher Hit Rates At 3–10× Lower Cost: Accelerating Ligand Discovery With ML-Guided Synthesis & ScreeningEFMC-ASMC 2025
Trustworthy Retrosynthesis: Mitigating Hallucinations with Reaction Plausibility Filtering and Retrieval-Augmented ScoringNeurIPS Workshop AI4Science, 2025
Scaling High-Throughput Experimentation Unlocks Robust Reaction-Outcome PredictionNeurIPS Workshop AI4Science, 2025
Relative molecule self-attention transformerJournal of Cheminformatics, 2024
Blog
The Team

Piotr Byrski
CEO & Co-founder

Stanisław Jastrzębski
CTO & Chief Scientist

Paweł Włodarczyk-Pruszyński
Engineering Fellow & Co-founder

Greta Klejborowska
Scientific Partnership Manager
Want to create the future of chemistry?
We're always looking for talented, passionate folks interested in developing the future of science today.
Advisors

Abby Doyle
Pioneer in HTE for Organic Chemistry, Professor at UCLA

Sebastian Guth
COO, Bayer Pharmaceuticals

Mason Victors
Former CTO of Recursion Pharmaceuticals
Meet us there
Press Highlights
Standard Industries Announces Molecule.one as Winner of $1 Million AI Challenge
June 12, 2025

TechBio Spotlight – Molecule.one by Mason Victors
October 15, 2024

CAS and Molecule.one Announce a Strategic Collaboration to Accelerate Drug Discovery
August 11, 2023

Molecule.one Grows its Drug Synthesis AI Platform with a Seed Stage $4.6M Seed Round
June 1, 2021

