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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 this vision, we work with our customers by becoming a key technology partner, boosting their discovery workflow with the most innovative solutions. Science, research, innovation and development are the core values of our company.
Our Mission
Acellera’s mission is to accelerate the transition to rational, computerized drug discovery via simulations and machine learning.
In order to fulfill this vision, we work with our customers by becoming a key technology partner, boosting their discovery workflow with the most innovative solutions. Science, research, innovation and development are the core values of our company.
Our Background
Acellera is devoted to bringing state-of-the-art technologies to drug discovery. Founded in 2006, 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
- 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 on 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


2006
Acellera's foundation

2009
ACEMD released - MD on GPU

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.

8,974
Papers citing Acellera's founders
832
Papers citing ACEMD software
16
Years Of Experience
Careers
Computational Scientist – Drug discovery
We are looking for a computational scientist with experience in computer science, computational chemistry and/or medicinal chemistry to join our solutions and discovery team. Read more and apply…
