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accelerating drug discovery

About Us

Read more about our purpose, mission as a company, and impact we're having in the real world. A story that started in 2006.

Developing The Algorithms To Automate Drug Discovery

Our mission is to accelerate the transition to rational, computerized drug discovery via simulations and machine learning. In order to fulfill our vision, we work with our customers by becoming key technology partners, boosting their discovery workflow with the most innovative solutions. Science, research, innovation, and development are the founding pillars of our company.

Our Background

Acellera is devoted to bringing state-of-the-art technologies to drug discovery. Founded in 2006 in the UK, we were one of the first companies worldwide to leverage the use of novel accelerator processor technology (GPU) for molecular dynamics. We developed the first online platform for drug design based on deep learning and are now leading the introduction of machine learning techniques into the drug discovery pipeline.

Our Culture: Innovation First

  • Our purpose is to change the way things are done by constantly increasing the rate of innovation.
  • Our mission is to transform drug discovery into a computable task, by developing the algorithms to run it.
  • Our impact is in the real world and not inside a screen, therefore molecules must be made and assays performed as a delivery path of our innovation.

Our History

Acellera's Foundation
ACEMD Released - MD On GPU
Fitness Of MD For Drug Discovery: The Benzamidine - Trypsin Example
Introduction Of HTMD: Lowering The Barrier To Build, Run And Analyze MD
Launch Of PlayMolecule - Machine Learning For Drug Design
OpenMM Collaboration - Chan-Zuckerberg Initiative Support
First Private PlayMolecule Instance
Today, our software ACEMD has over 939 citations, and KDeep and Deepsite are among the most cited papers in the field of ML applied to drug discovery.
Papers citing Acellera's founders
Papers citing ACEMD software
Years of know-how in computational drug discovery