Original article published on PNAS. Researchers at UPF were able to quantitatively reconstruct
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 is a high-technology company focused on developing high-throughput molecular dynamics techniques that deliver solutions for estimating common physico-chemical properties such as binding affinities, kinetics, poses and pathways with validated accuracy.