Build the software
Engines, models and applications become products that scientists can use on real molecular decisions.
Company
We build software to make drug discovery computable.
The claim that software improves molecular decisions has to be testable. That is why we run our own programs and publish the denominators rather than only describing capabilities.
01 What we are
A physics, machine learning and software company
Acellera was founded in 2006. We have built GPU molecular dynamics, machine learned molecular models, an online drug design environment and the applications that connect them to program decisions.
Today that work ships as three products: PlayMolecule® AI, the AI co-scientist; QuantumBind® Lab, the molecular physics execution layer for agents; and ACEMD® Toolkit, the Python ecosystem for molecular simulation. The ACEMD engine is one part of that toolkit. Our internal programs show where the software works and where it still needs to improve.
What our own programs produced
The team · Barcelona
02 How the company works
Test it on programs
Internal programs expose where the software works, where it fails and what the team should build next.
Publish and partner
We publish the denominators. Every program is open to a partner that can take it further. Acellera remains a software company.
03 History
20 years, a few turning points
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2006
Acellera founded, with molecular dynamics moving onto GPUs.
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2023
Acellera Therapeutics Inc. incorporated in the United States.
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2024
ISO 27001 certification for information security management.
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2024
Nanomolar compounds confirmed in our internal programs.
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2025
PlayMolecule AI starts calling computational workflows, not just describing them.
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2026
QuantumBind Lab introduced as the molecular physics execution layer for agents other than our own.
Work with us, or come work here
We are a small team of drug hunters, machine learning researchers and software engineers.