Kuano simulation and modelling platform

Kuano’s proprietary platform: Unique synergy of quantum methods, large-scale simulations, and computational chemistry

Kuano combines advanced quantum techniques with large-scale simulations to accelerate drug discovery. Our platform integrates automated QM, MD, and QMMM simulations, alongside methods such as FEP, MMPBSA, SAPT, FMO, DFT, and DMRG, enabling rapid exploration of drug-like chemical space.

Fast and effective

Rapidly explore new areas of chemical space with a suite of solutions including reaction-informed GNNs, RNNs, active learning, and genetic algorithms, guided by both data-driven and physics-based objectives.

More than a tool

Our fully-integrated design engine combines AI and physics-based models, with visualization and reporting accessible to non-specialists. Deep science experts collaborate directly with you to maximize insights and results.

Proven track record

Kuano addresses challenging ‘undruggable’ targets, including selectivity, phosphatases, metalloproteases, and more. We deliver real-world drug programs from HitID to Lead Optimization, including transition-state drug design, and can evaluate and scale solutions across multiple targets.