Toward open, reproducible molecular science
Our research works on computational molecular science, and organises around three commitments: the workflows we open, the infrastructure we build, and the complexity we decompose. We take this on with the wider community.
Three commitments
What we open, what we build, and what we work toward — with the wider community.
FAIR workflows, so work can be reproduced and reused.
Results get shared; the workflows behind them rarely do. We build and give away FAIR workflows, so a result can be re-run and built on — open workflow, alongside open data and open source.
The software, and the methods underneath.
We contribute new and refined methods, and the software to run them. When a problem needs a tailored approach, we build it — for the accuracy or efficiency it demands.
Toward molecular solutions.
We aim to decompose complexity. Building on open science, we work top-down and bottom-up — pairing physics-based modeling with data science — to find the delicate details where a molecular solution might hide.
Are you chasing a molecular solution?
We might help — in silico. Whether you’re a company with a molecule to crack, a lab facing a complex system, a builder opening up computational tools, or a backer of open science, we’d like to hear from you.
Decomposing complexity, in the open.
Bring a molecule, a method, or support open science — one email reaches a real person.