Open, visual workflows for scientific computing
We build Salpa — a desktop app that turns scientific computing pipelines into shareable, reproducible node graphs.
The workflow is the least-shared part of computational science.
The chain of tools behind a result is rarely reproducible, portable, or easy to reuse. Salpa makes it a visual node graph — legible at a glance, runnable by anyone, and reproducible by construction. Open workflow, alongside open data and open source.
Official workflows, ready to run.
Our own collection of scientific node packages — built, tested, and maintained by us. Install into Salpa and run.
metalparm-vwf
Parameterize metal-containing systems and prep them for MD — the EasyParm toolkit plus metallopeptide fragment fusion, as 20 nodes.
metaldock-vwf
Dock metal complexes with metal-aware QM charges — the MetalDock pipeline, as 6 nodes.
pdbmdauto
Automated protein preparation: a PDB in, an MD-ready system out — 14 nodes.
Three commitments.
Our research organises around the workflows we open, the infrastructure we build, and the complexity we decompose — toward open, reproducible molecular science.
FAIR workflows, so work can be reproduced and reused.
The software, and the methods underneath.
Toward molecular solutions.
BoundaryComputing builds open, reproducible tools for molecular science. Salpa grew out of real research pipelines — rebuilt so they can be seen, shared, and re-run. Early, open, and built with the community.
Get involved →Try Salpa — free, open, in preview.
Compose and run scientific computing workflows on your own machine. No account, no lock-in.