Accelerated Pharma and Chemical Formulation Development

High-performance cloud infrastructure and tools for quantum chemistry based property prediction.



Molecules Database UI

Software Development Kit (SDK)



Molecules Database UI

Software Development Kit (SDK)

Molecules Database API Access


Quantum Computing for Chemistry Course

Save $100 with annual plan

Machine Learning


All Quantum Features


Machine Learning Models Library

Save $100 with annual plan


All Quantum and Machine Learning Features

Solvation Model Container


MQS bridges the gap between laboratories and quantum chemistry

Experiments play a fundamental role for the success of R&D pipelines.
MQS provides algorithms accessible through a dashboard, an application programming interface (API) or as compiled packages to accelerate your research efforts.

Fully automated quantum chemistry calculations
Access from anywhere & share results with your team
Encrypted & secure data transfer


Retrieve missing property data

Phase equilibria calculations

with quantum chemistry

Reaction and flash calculations

for process design
Product Design Diagram

Define material structure

with your input and automatically generate similar structures
Product Design Diagram

Simulate the lattices

with suitable quantum chemistry models
Product Design Diagram

Receive metrics

to identify promising materials
Product Design Diagram

Define target properties

Product Design Diagram

Set constraints

of target properties
Product Design Diagram

Solve optimisation problem

Product Design Diagram

Receive final product recipe

with list of candidates and composition of formulation

Learn how to use the MQS Search API


QMugs and PubchemQC PM6

Machine Learning with Quantum Chemistry Data

Software Development Kit (SDK)

Partners & Networks

Molecular Quantum Solutions ApS

c/o Alfa Laval Innovation House
Maskinvej 5, 2860 Søborg