Technologies to enhance your drug discovery workflow


Molecular Dynamics and Machine Learning for better drug design

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 applications for molecule modeling and prediction More

Acellera's latest research and applications on ML applied to biochemistry More

Computing infrastructure

Specially designed to run demanding MD and deep learning tasks.

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

Acellera resellers

Making our products available worldwide

You can directly contact us to acquire Acellera products:

Contact Us

Or, if you are reaching us from China or Japan, you can instead contact your local reseller:


格致斯创(北京)科技有限公司 (GainStrong(Beijing)Technology Co.,Ltd.)



地址(Address):北京市西城区西直门外大街甲143号B3-M15 (No. 143A:B3-M15, Xizhimen Wai Street, Xicheng District, Beijing 100044, P.R. China)


Name: Affinity Science Corporation


Phone: +81-3-6417-3695

Address: Aios Gotanda Ekimae, 1-11-1 Nishigotanda,

Shinagawa-ku, Tokyo 141-0031, Japan