Innovation in the drug discovery pipeline


Since 2006, Acellera supports applied research for the development of biomedical simulation methods and machine learning predictors via agreements with academic institutions.

Furthermore, we create new software and hardware infrastructure for performing biomolecular simulations in high-throughput. Salient examples are ACEMD, HTMD or Metrocubo.

We would be happy to consider scientific collaborations with interested parties to demonstrate the potentiality of biomolecular simulations and deep learning. We are open to research projects (e.g. European projects) as well as other collaboration formats. Do not hesitate to contact us here!

Selected Publications

Ongoing international and EU funded projects


A Centre of Excellence in Computational Biomedicine. H2020-EINFRA-2015-1, Grant Agreement nr. 675451. 2016-2019


Feasibility assessment of a cloud application platform for rational drug design using high-throughput. H2020 SME Instrument 2014, Grant Agreement nr. 674659. 2015


Computer-Centric Fragment Based Ligand Discovery for the Development of candidate molecules targeting the chemkine system. Nuclis d’Innovació Tecnològica 2014. Acció, Generalitat de Catalunya. Nuclis Transnacionals Programa Bilateral Catalunya-Israel, Project nr. RDIS14-1-0002. 2014-2016


A cloud application platform for rational drug discovery using high throughput molecular dynamics; European SME innovation Associate(H2020-INNOSUP-02-2016, Grant Agreement 739649)