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Shaping the future of drug discovery with supercomputer-scale dynamics, quantum mechanical precision, and artificial intelligence
Driven by a philosophy of first principles physics and humans augmented by machine intelligence, we are actively researching and developing new ways to attack age-old problems
Enabled by mixing large-scale long-range molecular dynamics with the fastest quantum mechanics ever built
Our team is exploring the beyond edge of modern drug discovery
Enabled by mixing large-scale long-range molecular dynamics with the fastest quantum mechanics ever built
Our team is exploring the beyond edge of modern drug discovery
Biological macromolecules such as proteins, and even small molecule drugs, have inherent conformational dynamism and engage in a complex thermodynamic and kinetic dance with their interaction partners. In this sense, their individual structures and interactions are not invariant black-and-white snapshots, but molecular motion pictures. We seek to take the full-color motion picture to computational drug discovery.
By computing different folding states, and moving through the configurational space between them, we can understand dramatic changes in molecular behaviour. From small molecules to proteins and other biologics.
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Our quantum technology is the first to ever surpass the exascale barrier. The largest and fastest quantum calculations in the world allow us to compute transition states and interaction energies with unparalleled precision and generality.
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We leverage state-of-the-art generative AI systems for molecule optimisation and design. Trained against our high-dimension and high-precision calculations, it is able to find and exploit new patterns and new correlations.
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Nature isn't classical, dammit, and if you want to make a simulation of nature, you'd better make it quantum mechanical.
Richard Feynman
Richard Feynman