KinAI Labs

KinAI Labs is a deep tech company dedicated to developing advanced AI to accelerate drug discovery. Its AI models are based on physical principles to predict binding affinity between small molecules and proteins, a critical step in the design of new drugs.

The drug discovery process is limited by computational tools that are fast but imprecise -such as molecular docking– or precise but extremely slow and costly -such as free-energy simulations-.

KinAI resolves this bottleneck through “physics-first” AI models, which integrate physical laws directly into neural networks. This solution enables reliable predictions -even for new therapeutic targets and unexplored chemical spaces- without the need for large volumes of prior experimental data. Its flagship product, nup™, enables virtual screening, compound prioritization, and molecule optimization in seconds, significantly reducing experimental costs and the time required to advance a candidate to preclinical phases. This technology is designed to integrate seamlessly into the existing workflows of pharmaceutical companies, biotech firms, and CROs.