Acellera is a technology company focused on delivering services and solutions to companies and academic institutions on computing intensive, mission critical applications. By using Molecular Dynamics, Machine learning and exploiting the outstanding computational capabilities of new accelerator processors, we help to achieve performances which would be otherwise unreachable using current standard technology.
Acellera has been developing machine learning based tools, gathering experience and earning expertise in this field. Some of these tools have been published in the scientific literature and are freely available at Playmolecule. We believe that machine learning techniques can accelerate the drug discovery process by identifying binding pockets, selecting better candidates, excluding toxic or reactive molecules and improving the ADMET profile of the selected agents.