
Molecular Quantum Solutions provides computational platforms that speed molecular and materials R&D by predicting properties and guiding experiments. They offer a quantum chemistry and machine-learning SaaS with HPC containers, the Cebule SDK, JupyterLab and Kubeflow integrations, and support for Kubernetes, Docker/Apptainer for cloud or on-prem deployments. The stack leverages quantum chemistry packages (PySCF, Psi4, Quimb), quantum frameworks (PennyLane, Qiskit), molecular dynamics, Bayesian optimization, and ML models to screen and optimize molecules from a dataset of over 200 million compounds. MQS serves pharmaceutical, chemical, crop science and materials R&D teams via subscription and services and provides workshops to upskill researchers.

Molecular Quantum Solutions provides computational platforms that speed molecular and materials R&D by predicting properties and guiding experiments. They offer a quantum chemistry and machine-learning SaaS with HPC containers, the Cebule SDK, JupyterLab and Kubeflow integrations, and support for Kubernetes, Docker/Apptainer for cloud or on-prem deployments. The stack leverages quantum chemistry packages (PySCF, Psi4, Quimb), quantum frameworks (PennyLane, Qiskit), molecular dynamics, Bayesian optimization, and ML models to screen and optimize molecules from a dataset of over 200 million compounds. MQS serves pharmaceutical, chemical, crop science and materials R&D teams via subscription and services and provides workshops to upskill researchers.
Founded: 2019 (Dec 2, 2019)
Headquarters: Copenhagen / Niels Bohr Institute (Denmark)
Product: Cebule — quantum-chemistry & ML SaaS + SDK for molecular/materials R&D
Customers / Markets: Pharmaceuticals, chemical, crop science and materials R&D teams
Funding: Pre-seed June 2023 — led by Scale Capital (Rockstart, Stokbro Invest)
Accelerating molecular and materials discovery by combining quantum-chemistry simulations and machine learning to predict properties and prioritize experiments.
2019
Biotechnology
€600,000
Participation from Rockstart and Stokbro Invest
“Scale Capital led the pre-seed and took a board observer role; participation from Rockstart and Stokbro Invest”