Accelerated Molecular Discovery at Trillion Scale
Search, predict, and explore 2D, 3D shape, electrostatic, and activity similarity across 40T+ molecules in seconds — on cloud or on-prem.
Read the 147× hit-rate case study
Ligand for PGK2 protein identified using CHEESE.
Trusted by leading organizations in drug discovery
The CHEESE Platform
A family of AI products for drug discovery that accelerate the early phases of your research
CHEESE Search
1 Second Billion Scale Search across 40T+ molecules. 3D Shape, Electrostatics & Activity Screening.
- Aurigene, Enamine, ZINC, eMolecules
- Chemspace, Chemriya, Mcule, Molport
- Saves years in virtual screening
CHEESE Modeller
Ultra-fast ADMET prediction and custom QSAR model training in just 2 minutes.
- Ultra-Fast ADMET Prediction
- Train Custom QSAR in 2 Minutes
- The Simplest GUI on the Market
CHEESE Explorer
Explore 11+ public databases including FDA approved drugs, patented molecules, and natural products.
- 11+ Public Databases
- FDA Approved Drugs & Patents
- Natural Products & Fragrances
CHEESE Electrostatics
95-98% correlation with DFT calculations. Process molecules in 3 seconds that would take 3 hours with DFT.
- 95-98% Correlation with DFT
- Validated on OOD scaffold-split
- 3s vs 3hrs with DFT
API & On-Prem
Programmatic access via API or run behind your firewall for maximum IP protection.
- Public API & On-Prem deployment
- CLI, API, Python, KNIME integrations
- Custom databases & personalized deployment
What Our Partners Say
"Collaboration with Deep MedChem has significantly streamlined the implementation of AI/ML technologies for processing chemoinformatics data in our drug discovery processes. Through a series of open consultations, the members of Deep MedChem quickly and effectively understood our needs. As a result of this collaboration, we now possess several proprietary models that provide us with significant competitive advantage over other solutions."
Jan Skácel
Research Group Lead, IOCB Prague
"CHEESE Modeller has been a game-changer for our drug discovery projects. The tool accurately predicted docking scores in our virtual screening saving us 200 days of computation time, while achieving unprecedented hit rate. Its simplicity and ease of use set it apart from competitors. Their customer support is outstanding, always providing prompt and effective assistance."
Chief Scientific Officer
A San Francisco Bay Area Biotech Company
AI is revolutionising drug discovery. We will make you part of this revolution.
Deep MedChem is a spin-off from The MAMA AI and i&i Prague—a startup investor and incubator connected with IOCB, a top-class medicinal chemistry institution in Europe.
The collaboration led to the development of CHEESE platform—a family of AI products for drug discovery that accelerate the early phases of drug discovery.
Try for FreeExpert Services
Derived from our drug discovery AI platform, our expert team provides hands-on assistance.
Collaborative Approach
We work closely with you, tailoring our support to meet your specific goals and requirements.
Accessible AI Tools
Our AI tools bridge the gap between cutting-edge technology and practical application.
Our Team
We are passionate about making AI-tools that provide the most added value in the hands of medicinal chemists and drug developers.
Jan Macek
Chief Executive Officer
Miroslav Lžičař
Chief Technical Officer
Jiří Růžička
Chief Business Officer
Hamza Gamouh
Senior AI Engineer
David Stíbal
Senior Biotech VC Expert
(Supervisory Board Member)
Jan Kleindienst
Senior AI Executive
(Supervisory Board Member)
Interested in joining us? Send your CV to jobs@deepmedchem.com