Our unique technology allows the customers to scale their quantum mechanical simulations to thousands of molecules per day and achieve high throughput. Our platform automates the workflow and takes advantage of low-cost options available in the cloud, such as AWS’s spot pricing. The application scope ranges from creating an AI model in Materials Informatics to screening small molecules in drug discovery processes.
The proprietary QSimulate-QM program has realized, for the first time, high-accuracy quantum mechanical (QM) simulations of thousands of atoms with realistic turnaround time and costs (~30 minutes and $10), utilizing vast computing resources in the cloud. This opens up a possibility, for example, of using QM for ligand-protein scoring. We are further refining our QM protocol in collaboration with Amgen and AWS.
Unique hardware algorithms
As a leader in the quantum simulation space, we are actively engaged in collaboration with multiple external teams to take advantage of new and emerging hardware. This includes both emerging quantum computers, which offer new possibilities for accelerating quantum mechanical simulations, as well as new AI-based hardware paradigms. We possess a portfolio of unique algorithms in these spaces. As a launch partner of Amazon Quantum Solutions Lab, and via an ongoing partnership with Google AI Quantum Lab we are developing new use cases based on our specific technologies.
Academic Software License for QM/MM
We provide an academic software license for the QM/MM engine that interfaces QSimulate-QM with a high-performance MD engine GENESIS. Read more ≫
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