Join the race towards computerized drug discovery


The vision of Acellera is to transform the currently experimental driven process of drug design into a computerized driven one, including both molecular simulations and innovative artificial intelligence methods.

We aim to be your partner during this transition. On the last decade, our team has acquired a strong expertise in these fields and has developed innovative tools -such as ACEMD, HTMD or AceCloud- which are based on state of the art technologies (GPU, Cloud Computing, Machine Learning and Neural Networks) .

Benefit from our know-how and open new perspectives for your Drug Discovery projects.


Acellera has been working with both Academia and Industry for more than ten years now. We have developed a variety of technologies focused on drug discovery and development which have been used widely through the scientific community (ACEMD has been cited more than 400 times already). Below, you can read some comments from our partners and clients.

  • ACEMD has provided a significant boost in performance, even a single GPU card out performs several hundred CPU-cores. With 10 cards we can easily generate microsecond level sampling in a few days.

    P. K. Agarwal, Ph.D., ORNL
  • ACEMD is an admirable molecular dynamics tool that clearly holds its promises.

    L. Gauthier, Ph.D., Sanofi
  • Acellera and ACEMD afforded us a straightforward new tool based on its amazing MD engine performance capable to exploit fully the latest GPU hardwares. It can be easily plugged to extra codes for a maximal versatility and no doubts remains on its usefulness for an atomic scale interpretation of biomolecular NMR data and its specific spectroscopic time-scales.

    O. Walker, Ph.D. and JM. Lancelin, Ph.D., University of Lyon
  • ACEMD is without any doubt a versatile program that exploit the full potential of MD simulations, using cost-effective hardware solutions, that can be adapted to every Molecular Modeling laboratory needs.

    D. Sabbadin, Ph.D., University of Padova
  • My impression is good since the beginning, in a workstation with 4 GPUs we have the power of a small supercomputer.

    M. Ceccarelli, Ph.D., University of Cagliari
  • The combination between ACEMD and a single GTX-780 helped us to understand discrete events happening between two metastable intermediates. The combination of MD simulations and experimental data was key to achieve our goal.

    A. Perálvarez, Ph.D., Universidad Autónoma de Barcelona