Molecular Quantum Solutions
Molecular Quantum Solutions is a Danish quantum chemistry and machine learning software company that provides the Cebule™ platform for molecular screening, property prediction, and R&D acceleration in biopharmaceutical, materials, and chemistry organizations.
- Company typePrivate
- Founded2019
- HeadquartersSøborg, Denmark
- Headcount1–10
- GTM typeB2B
- OfferingSoftware
What Molecular Quantum Solutions does
Molecular Quantum Solutions ApS (MQS) is a privately held Danish software company founded in 2019 and headquartered at Quantum Denmark inside the Niels Bohr Institute in Copenhagen. It develops the Cebule™ platform, a modular computational environment that combines quantum chemistry calculations (DFT and CCSD(T) level) with machine-learned property prediction and optional quantum-computing acceleration to support molecular R&D in biopharmaceuticals, advanced materials, and chemistry. Core technical components include a 200M+ molecule indexed database (PubChemQC PM6 and QMugs datasets) accessible via Search API and Python SDK, proprietary quantum algorithms such as Tensor Network-Assisted VQE, COVO virtual orbital optimization, a custom fermion-qubit mapping, and the Xenakis genetic quantum circuit generator, alongside graph neural networks (MCGNN, DelFTa) for property prediction and machine-learned interatomic potentials for molecular dynamics. An add-on Lab Connect module extends the platform into laboratory automation through OPC-UA, MQTT, and ROS2-based robotics with Bayesian closed-loop experimentation.
MQS commercializes the platform through a tiered model comprising a Free tier (25 minutes compute), a usage-based Professional tier (700–6000 compute minutes for $50–$300), and a multi-year Enterprise tier offering cloud or on-premise deployment across AWS, Azure, and Google Cloud with optional European HPC provision, quantum computing integration, and lab automation. Distribution is hybrid: direct self-service via cebule.mqs.dk, AWS Marketplace listing for enterprise procurement, and direct enterprise sales. The company is co-founded by Mark Nicholas Jones (CEO/CTO) and Kurt Stokbro (Chairman and investor), with a small 1–10 person team supplemented by a scientific advisory bench that includes the originator of the COSMO methodology. MQS participates in multiple European research consortia, including Q-CHEMION, Q-ARMOR, PhotoQ, and QuantiCoM H2Q, alongside partnerships with DTU, DLR, Fraunhofer SCAI, IQM, and the Nvidia Inception Program.
Disclosed funding is limited to a ~$974K seed round closed in June 2023 with Rockstart, Scale Capital (lead), and Stokbro Invest. Operating geographies documented are primarily European (Denmark, Germany, Finland, Czech Republic), with no global footprint claim in source data.
Molecular Quantum Solutions firmographics
Firmographics- Name
- Molecular Quantum Solutions
- Legal name
- Molecular Quantum Solutions ApS
- Website
- https://mqs.dk
- Company type
- Private
- Founded year
- 2019
- Operating status
- Operating
- Headcount range
- 1–10 employees
- Short description
- Molecular Quantum Solutions is a Danish quantum chemistry and machine learning software company that provides the Cebule™ platform for molecular screening, property prediction, and R&D acceleration in biopharmaceutical, materials, and chemistry organizations.
- Ownership category
- akta.pro rank
Molecular Quantum Solutions industry classification
Industry- Product category
- Quantum Chemistry & Molecular Simulation Software
- NAICS
- Scientific Research and Development Services (5417), Research and Development in the Physical, Engineering, and Life Sciences (54171)
- SIC
- Services-Commercial Physical & Biological Research (8731)
- akta.pro primary industry
- Scientific Data Management & Data Platforms (SDMS/Data Lakehouse for R&D) (HLAGAJAC)
Keywords
Where Molecular Quantum Solutions is headquartered
LocationHeadquarters
- HQ city
- Søborg
- HQ country
- Denmark
- HQ region
- Europe
Offices1 record
Markets served
Molecular Quantum Solutions business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Personnel, Technology or R&D, Infrastructure, Operations, Marketing or Sales, Supply Chain
Revenue model
- Cebule™ Platform Subscriptions: Tiered subscription model for platform access including Free (25 min compute), Professional (700-6000 minutes at $50-$300), and Enterprise tiers with varying feature sets and compute allocations.
- Usage-Based Compute: Pay-per-usage model for HPC compute time with minutes-based billing (700 min for $50, 2500 min for $150, 6000 min for $300 in Professional tier). Enterprise tier includes cloud/on-premise deployment with optional European HPC provision.
- Enterprise Professional Services: Custom enterprise deployments including AWS, Azure, Google Cloud, on-premise infrastructure, quantum computing integration, and automated lab connection. Pricing and terms arranged through sales meetings.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Freemium | Pay-as-you-go | Free tier for initial platform exploration with limited compute time |
| Usage-based | Pay-as-you-go | Pay-per-usage professional tier with full platform access |
| Subscription | Multi-year contract | Enterprise tier with cloud/on-premise deployment and advanced features |
Go-to-market motion3 records
Distribution channels4 records
Marketing channels4 records
Molecular Quantum Solutions product offering
Product offeringCore offering
MQS sells the Cebule™ platform, an integrated modular software product that combines quantum chemistry calculations with machine learning–driven experimental design for molecular screening, discovery, and development. The platform is delivered through a Dashboard interface, Python SDK, agentic AI assistant, HPC engine (CPU/GPU/QPU), REST/Search API, and a Lab Connect module for laboratory automation. It is offered to biopharmaceutical, materials science, and chemical R&D customers via free, professional pay-per-usage, and enterprise subscription tiers.
Product overview
Molecular Quantum Solutions offers the Cebule™ Platform, a modular quantum chemistry and machine learning platform for biopharmaceuticals, materials, and chemistry R&D. The platform integrates four core components: the Cebule™ Dashboard (visual interface), Cebule™ SDK (Python programmatic access), Cebule™ Agent (AI research assistant), and Cebule™ HPC (high-performance computing engine). Additional modules include the Search API for molecular database access (PubChemQC PM6 and QMugs datasets), and Lab Connect for laboratory digitalization and self-driving laboratory capabilities. The platform delivers DFT and CCSD(T)-level accuracy across 200M+ molecules with 10x faster R&D cycles.
Differentiator
Problem solved
Functional benefit
Brands
- Cebule™: Modular quantum chemistry and machine learning platform for molecular screening, discovery and development. Includes Dashboard, SDK, Agent, and HPC capabilities.
- Cebule™ Dashboard
- Cebule™ SDK
- Cebule™ Agent
- Cebule™ Search API
- Lab Connect
- Xenakis
Products and services
- Cebule™ Platform Integrated modular platform combining the Cebule Dashboard, Python SDK, Agent, and HPC engine for molecular screening, discovery, and development. Delivers DFT and CCSD(T)-level quantum chemistry calculations and ML-driven experimental design pipelines to biopharmaceutical, materials, and chemistry R&D customers.
- Cebule™ Dashboard Web-based visual interface for searching quantum chemistry data across 200M+ molecules, viewing HPC task overviews, accessing agentic research conversations, and managing ML experiments via Kubeflow integration. Targeted at researchers using the Cebule platform.
- Cebule™ SDK Python software development kit providing programmatic access to molecular data, quantum chemistry prediction models, the graph neural network library, and CPU-GPU HPC compute nodes. Used by researchers and engineers integrating Cebule into existing workflows.
- Cebule™ Agent Agentic AI assistant that prototypes workflows, provides code examples, and suggests relevant data examples to fast-track molecular discovery and development research challenges.
- Cebule™ HPC High-performance computing engine with CPU-GPU nodes, SLURM workload management, hybrid cloud infrastructure support, and MLOps capabilities for reproducible computational pipelines in quantum chemistry and ML workloads.
- Cebule™ Search API REST API providing access to molecular databases including PubChemQC PM6 (221M molecules) and QMugs (~685K molecules), with endpoints for compound search, datasheet retrieval, and wavefunction file access. Supports SMILES, CID, InChI, molecular formula, and CAS queries.
- Lab Connect Laboratory digitalization module enabling self-driving laboratories through OPC-UA integration for heterogeneous equipment, MQTT-based real-time data acquisition, ROS2 robotic automation (UR5e, Meca500 robot arms), Kubernetes deployment, and Bayesian closed-loop optimization. Targeted at process R&D and automated experimentation teams.
- Quantum Computing Course Educational course covering quantum computing fundamentals, gate-based circuits, variational quantum algorithms, tensor networks, and quantum machine learning, with a digital textbook, JupyterHub exercises, and hands-on coding using the Cebule SDK. Targeted at engineers, researchers, and PhD students.
Quantifiable outcome
- 10x faster R&D cycles for molecular screening and discovery
- +4 more outcomes
Companies that use Molecular Quantum Solutions
Customer profileNamed customers5 records
Segments4 records
Ideal customer profiles3 records
Molecular Quantum Solutions technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- Yes
- API docs
- API detail
Core technology
AI maturity
App detail
Integration10 records
AI capability8 records
Feature15 records
Molecular Quantum Solutions partnerships and signals
Strategic signalPartnerships
Twelve partnerships are on record, tiered core, major and minor.
- AWS (Amazon Web Services)coreAWS Marketplace listing for Cebule platform deployment. Platform supports AWS deployment for Enterprise tier customers. Partnership enables enterprise customers to leverage existing AWS infrastructure agreements for MQS platform access.
- DTU (Technical University of Denmark)coreCollaborative research partner involved in multiple projects including PhotoQ (photonic quantum computing), QuantiCoM H2Q (water simulations), and digital infrastructure development for (bio)chemical engineering pilot plant. DTU provides academic research expertise and infrastructure.
- DLR Quantum Computing InitiativecoreCollaboration through QuantiCoM H2Q project for advanced water simulations combining classical and quantum computing methods. DLR (German Aerospace Center) provides quantum computing infrastructure and expertise.
- Fraunhofer SCAImajorJoint development of quantum computing algorithms benchmarking framework to assess methods related to quantum computing enhanced quantum chemistry calculations. Fraunhofer provides computational chemistry expertise.
- Q-CHEMION ConsortiummajorEnd-to-end quantum computing calculation pipeline project involving QEDMA, Oxford Ionics, Copenhagen University, and DTU. Project aims to develop complete quantum chemistry calculation workflows for quantum computers.
- Nvidia Inception ProgramminorPartner logo displayed on website indicating membership in Nvidia's startup acceleration program for AI/computing companies. Provides access to Nvidia resources, marketing support, and technology benefits.
- PhotoQ ProjectcorePhotonic quantum computing project involving measurement-based quantum computing and Gaussian boson sampling (GBS). Led by DTU with MQS participation.
- Q-ARMOR ProjectmajorQuantum-AI Assisted Rational Design of Metallopeptide Conjugates Against Antimicrobial Resistance project. Collaboration focused on applying quantum computing and AI to pharmaceutical research.
- Quantum Innovation ChallengemajorAnnual innovation challenge focused on quantum computing applications in life sciences. Organized in collaboration with Novo Foundation, BioInnovation Institute (BII), DCAI, QAI Ventures and others. MQS participates in ecosystem development.
- Quantum DenmarkcoreDanish quantum technology ecosystem organization. MQS headquartered at Quantum Denmark location at Niels Bohr Institute, indicating strong institutional ties and ecosystem participation.
- Danish Quantum CommunityminorDanish quantum computing community network. MQS listed as community member.
- Innovation District CopenhagenminorCopenhagen innovation ecosystem. MQS participates as member for startup ecosystem access and collaboration opportunities.
Scale indicators3 records
Recent moves6 records
Expansion highlights6 records
Molecular Quantum Solutions competitors and assessment
Company assessmentDirect peers
- Schrödinger: Public computational chemistry and materials science platform (LiveDesign, Maestro) serving biopharma and materials R&D with physics-based simulation and ML; most direct commercial competitor to MQS in molecular property prediction for drug discovery and materials design.
- Xanadu Quantum Technologies: Quantum computing company offering PennyLane framework and photonic quantum hardware with focus on quantum chemistry and quantum ML applications; directly comparable as a hardware-and-software quantum chemistry stack competing for similar R&D budgets.
- QC Ware: Quantum software company offering enterprise quantum computing services for chemistry, materials, and finance; directly comparable as a quantum-software-for-R&D peer, though more focused on Fortune 500 deployments than academic/research customers.
Broad incumbents
- IBM Quantum: Broad incumbent with Qiskit-based quantum computing platform including chemistry applications, enterprise cloud access, and quantum hardware; MQS integrates with similar chemistry/quantum workflows but operates at a different scale and scope.
- Google Quantum AI: Broad incumbent with quantum hardware and TensorFlow Quantum; published foundational work on quantum chemistry algorithms (e.g., Sycamore-era VQE benchmarks) that overlaps directly with MQS's TN-VQE and benchmarking work.
- Quantinuum: Trapped-ion quantum computing company (Honeywell/CMB merger) with InQuanto chemistry platform for molecular simulation; comparable as a vertically integrated quantum-chemistry competitor with both hardware and software.
Emerging players
- Zapata Computing: Quantum software company (now Quantum Generative Materials) specializing in chemistry/materials workflows for enterprise; comparable as a software-only quantum chemistry peer, with a similar target customer base in pharma and materials.
- Classiq: Quantum software company focused on high-level quantum algorithm synthesis (Xenakis-like circuit generation use cases) with chemistry and finance applications; overlaps with MQS's quantum circuit generation tooling and chemistry customer base.
- Rigetti Computing: Superconducting quantum hardware company with quantum-classical hybrid platform including chemistry applications; comparable as a quantum-ecosystem player targeting enterprise R&D users.
- IQM Quantum Computers: European superconducting quantum hardware manufacturer headquartered in Finland; already a listed MQS partner for hardware integration, comparable as a regional European quantum hardware peer and ecosystem participant.
Market position
Strengths4 records
Weaknesses4 records
Competitive moat5 records
Key risks5 records
Key highlights6 records
Customer concentration
Molecular Quantum Solutions social profiles
Digital presenceMolecular Quantum Solutions financial estimates
Financial estimateRevenue estimate
Valuation estimate
Molecular Quantum Solutions leadership team
Management profileNumber of profiles
Profiles14 records
Molecular Quantum Solutions funding detail
Funding detailFunding overview
Funding rounds1 record
Investors3 records
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
Molecular Quantum Solutions M&A and investment
M&A and investmentM&A
Investments
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about Molecular Quantum Solutions
What does Molecular Quantum Solutions do?
MQS sells the Cebule™ platform, an integrated modular software product that combines quantum chemistry calculations with machine learning–driven experimental design for molecular screening, discovery, and development. The platform is delivered through a Dashboard interface, Python SDK, agentic AI assistant, HPC engine (CPU/GPU/QPU), REST/Search API, and a Lab Connect module for laboratory automation. It is offered to biopharmaceutical, materials science, and chemical R&D customers via free, professional pay-per-usage, and enterprise subscription tiers.
Is Molecular Quantum Solutions a public or private company?
Molecular Quantum Solutions is a private company. It is classified as venture growth investor backed and is currently operating.
When was Molecular Quantum Solutions founded?
Molecular Quantum Solutions was founded in 2019. It employs 1 to 10 people.
Where is Molecular Quantum Solutions based?
Molecular Quantum Solutions is headquartered in Søborg, Denmark, in the Europe region.
How does Molecular Quantum Solutions make money?
Three revenue lines are on record. Cebule™ Platform Subscriptions are the primary driver. The others are usage-Based Compute and enterprise Professional Services.
Who are Molecular Quantum Solutions's main competitors?
Direct peers on record are Schrödinger, Xanadu Quantum Technologies and QC Ware. Broad incumbents are IBM Quantum, Google Quantum AI and Quantinuum. Emerging players are Zapata Computing, Classiq, Rigetti Computing and IQM Quantum Computers.
Does Molecular Quantum Solutions have an API?
Yes. The MQS Search API provides programmatic access to molecular data and quantum chemistry databases. The REST API includes endpoints for generating access tokens (POST /token), searching compounds (GET /search), and retrieving compound datasheets (GET /compound/{id}). Authentication uses bearer tokens obtained via email/password credentials. The API provides access to PubChemQC PM6 and QMugs datasets with molecular properties including HOMO-LUMO gaps, vibrational spectra, orbital information, and wavefunction files. A companion Python SDK (https://gitlab.com/mqsdk/python-sdk) provides task-based programmatic access with TaskTypes including GNN_DATASET_CREATE, GNN_DATASET_EXTEND, GNN_TRAIN, GNN_PREDICT, and others for quantum chemistry calculations, molecular dynamics, and ML workflows. Developer documentation is at docs.mqs.dk.
What industry is Molecular Quantum Solutions in?
Molecular Quantum Solutions's product category is Quantum Chemistry & Molecular Simulation Software. Its primary akta.pro industry code is HLAGAJAC, Scientific Data Management & Data Platforms (SDMS/Data Lakehouse for R&D). Its NAICS code is 5417 and its SIC code is 8731.