Drug Discovery is a long & costly process currently mostly driven by wet lab experiments. The reason, simulations tools did not achieve the same reliability and performance than in the aerospace, automotive or engineering sectors. This is exactly what the Atlas project aims to change: developing a predictive, reliable and cost-effective platform to accelerate the drug discovery process.
ATLAS is also the name of Qubit’s ultra-high resolution drug design platform. It enables drug hunters to discover, optimise & validate drug candidates and carry out complex computations at scale, on any hardware, whether on-premises or on the cloud. It leverages the cutting-edge scientific developments of our scientific founders & team in the field of molecular dynamics and more broadly in in-silico drug discovery. The platform allows tackling, CPU, GPU and QPU (Quantum Processing Units) to benefit from most advanced High Performance Computing (HPC) infrastructures and technologies to provide our drug discoverer a reliable, resilient, performant, scalable and secured tool.
The main use cases are:
- Provide great and secured user experience:
We make sure the provided user experience is a “must have” (and not a “nice to have”) is critical to ensure full users’ commitment to the use of the platform.
- Design advanced Drug Discovery (DD) pipelines: The main purpose of Drug Discovery is to create active compounds molecules. The capacity of designing efficient pipelines with cutting edge technology is central.
- Provide state of the art molecular visualisation and analysis tools: At Qubit Pharmaceuticals, we believe humans play a central role in Drug Discovery. The platform is at the service of the Drug Designer. The platform must provide the best tools to analyse and visualise molecules.
- Help and support users: Drug designers shall only focus on Drug Discovery and Drug Design. It is central to help and support them to take advantage of the best of the technology.
- Scale on demand
Drug Discovery is inherently a large-scale problem. It requires the ability to deal with very large datasets (i.e finding the best compound in a chemical space of 1060), to perform complex algorithmics (large matrix inversions) at scale & speed… hence HPC and involves large team with various expertise. This is the reason why scalability of our infrastructure is at the heart of the platform design.
- Monitor and report performances and costs:
We share a continuous improvement mindset, monitoring, tracking, reporting, alerting on the state of the platform is crucial to be as proactive as possible.
- Manage a database of compounds: Compounds are the Gold of Drug Discovery, a reliable and secured database with highly qualified data is a “must have” for Qubit Pharmaceuticals
