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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

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acellera-logo

2006

Acellera's foundation

2009

ACEMD released - MD on GPU

2011

Fitness of MD for Drug Discovery:
The Benzamidine -Trypsin example

2016

Introduction of HTMD: Lowering the Barrier to build, Run and analyze MD

2018

Launch of PlayMolecule - Machine Learning for Drug Design

2020

OpenMM collaboration - Chan-Zuckerberg Initiative support

2021

First private PlayMolecule instance

Today, our software ACEMD has over 700 citations, and KDeep and Deepsite are among the most cited papers in the field of ML applied to drug discovery.

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8,974

Papers citing Acellera's founders

832

Papers citing ACEMD software

16

Years Of Experience

Careers

Scientific Software Engineer

 

 
Computational Scientist – Drug discovery

 

We are currently looking for a computational scientist with experience in computer science, computational chemistry and/or medicinal chemistry to join our solutions and discovery team. Learn more and apply…

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