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Company description

Acellera is an AI and quantum chemistry company focused on accelerating early-stage drug discovery. Founded in the USA in 2023, Acellera builds on a legacy of scientific innovation — including being among the first companies worldwide to leverage GPU accelerator technology for molecular dynamics and developing the first online platform for drug design based on deep learning. The company serves pharmaceutical and biotech organizations globally, partnering with dozens of top-tier clients to address the most challenging problems in small-molecule drug discovery.

Acellera's mission is to transform drug discovery into a fully computable task by developing the algorithms to automate and rationalize it. Their team of drug hunters, machine learning researchers, and software engineers work to bring new therapies to patients through computation and AI, taking programs from target identification to a prioritized list of lead candidates within weeks.

Core Platform and Products

• QuantumBind® — Acellera's flagship platform for small-molecule discovery and potency optimization, combining the accuracy of quantum chemistry with the speed of AI and machine learning. Launched in 2024, it has already demonstrated the identification of first nanomolar compounds.
• PlayMolecule AI — Acellera's enterprise AI co-scientist platform that allows organizations to securely connect their proprietary datasets and internal compound libraries to Acellera's AI infrastructure. It supports conversational interaction with computational workflows, including a feature called "Speak to a Protein" that enables natural language-driven molecular analysis.
• AceFF-2 — A next-generation force field designed to bridge the gap between speed and accuracy in drug discovery workflows.

Key Capabilities

• Integration of quantum chemistry and AI/ML methods for high-accuracy binding affinity prediction and potency optimization
• Molecular dynamics simulations leveraging GPU accelerator technology, a capability Acellera pioneered
• Deep learning-based drug design, building on the development of one of the first online platforms of its kind
• Execution of end-to-end computational workflows through conversational AI interfaces
• Shortening the time to identify lead molecules, enabling target-to-lead programs to be completed within several weeks

Company Background and Culture

• Founded in 2023 as Acellera Therapeutics Inc., a US-based corporation, with roots in long-standing scientific and technological innovation
• Operates with an innovation-first culture, emphasizing the purpose of continuously increasing the rate of discovery innovation
• Committed to real-world impact — molecules must be synthesized and assays performed as a delivery path for their computational innovations
• Has worked with dozens of top pharma and biotech companies worldwide, applying their technology to the toughest challenges in drug discovery
• Operates both as a technology platform provider and as Acellera Therapeutics, an internal drug discovery engine applying their own tools to develop new therapies

Acellera positions itself as a key technology partner for life sciences organizations seeking to enhance their small-molecule discovery capabilities, offering both enterprise software solutions and deep scientific collaboration to drive higher success rates in early-stage drug development.

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Software attributed to Acellera

• PlayMoleculeView
• ACEMDView
• QuantumBindView

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