Enhance your drug discovery workflow


Acellera pioneered the use of GPUs in molecular dynamics simulations.

HTMD is a Python environment to handle molecules, prepare, run and analyze MD simulations. More

ACEMD is a production MD software optimized to run on GPUs, speeding up MD simulation. More

PlayMolecule is a repository of best-in-kind applications regarding molecular predictors and tools for modeling. More

Computing infrastructure

Run simulations locally using MetroCubo or Amazon cloud via AceCloud.

Metrocubo provides a small GPU based supercomputer in a desktop suitable size. More

AceCloud allows you to run MD simulations easily on Amazon cloud (AWS). More


Consultancy services to solve the most challenging computer-based drug discovery problems

Obtain up to a millisecond of molecular dynamics (MD) data for your system from our team of experts. More

Obtain binding poses, kinetics, binding affinities and binding pathways for your compounds of choice. More