1,000x
Quantum
Our quantum technology stack holds the world record for the fastest and largest ab initio quantum energy calculations and quantum molecular dynamics simulations ever done[1][2]
With this technology we can understand biologically relevant systems in greater detail than ever before
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Fast force fields specialised for every molecule make our dynamics simulations super accurate across all of chemical space
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Quantum-accurate geometry optimizations reveal the real shapes of molecules even in the presence of rings, dispersion forces, charge and polarity
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Computing transition states, bond breaking, bond forming, and thermodynamic and kinetic energies unlocks entirely new modalities
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Super-accurate interaction energies allow us to better understand the driving forces behind inter-molecular function
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Intelligence
Artificial intelligence changes the possible scale and iteration speed of modern drug discovery. We embrace the greatest work at every level of the stack and extend them with our supercomputing and quantum edge.
And although our team worships at the alter of machine intelligence, we are strong believers in the human drug hunter. Our focus is on augmenting their abilities.
And although our team worships at the alter of machine intelligence, we are strong believers in the human drug hunter. Our focus is on augmenting their abilities.
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The unprecedented speed and extremely large scale of our calculations has given us access to the most comprehensive quantum database for training advanced quantum-aware AI
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Hyper-precise geometry optimizations reveal the real shapes of molecules even in the presence of rings, dispersion forces, charge and polarity
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Access to supercomputers and high-performance computing clusters, a team holding multiple world records in HPC, means that compute resources are no barrier for training and fine-tuning
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We are exploring new ways to extract data and form hypotheses from the vast bodies of existing literature
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From folding and biologic generation, to predicting binding affinity and toxicity, we deploy the latest and greatest AI systems at every level of our stack
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Our quantum tech gives us the ability to generate fundamental features and embeddings at a scale that has never before been possible before, allowing us to explore new ways to drive predictions and QSAR
MILLIONS
of atoms
TRILLIONS
of steps
Our computational drug discovery stack is heavily optimised for the largest supercomputers in the world. Armed with this — and our own massively parallel computing cluster — there is no system too small or too big for us.
Using a mix of modern computational biology, computational chemistry, high-performance molecular dynamics, and our own specialised technology, we are able to develop deeper insights into targets and drug-target interactions.
Using a mix of modern computational biology, computational chemistry, high-performance molecular dynamics, and our own specialised technology, we are able to develop deeper insights into targets and drug-target interactions.
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Large-scale and long-range dynamics help us understand the effect that mutations can have on the movement, binding pockets, and behaviour of proteins
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Simulations spanning multiple replications and long timescales can illuminate otherwise opaque modes-of-actions between ligands and their targets
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Observing proteins and other biologics across a sufficiently large amount of configurational space allows us discover new and cryptic binding pockets
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Decorated by quantum chemistry calculations, we can understand snapshots and geometries from massive simulations, which can result in significantly more accurate binding affinities
[1] - Toward an extreme-scale electronic structure system
learn more[2] - Scaling Correlated Fragment Molecular Orbital Calculations on Summit
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