Let’s get your workflow running.
Salpa Foundry is the network we are starting for people who use and build computational methods in molecular science. Its first step is simple: we work side by side with a few research groups and R&D teams, free of charge, to get their work running in Salpa.
Free · by invitation, and open to anyone who asks to join
A small first step toward a network.
It is early. Phase 0 has no platform to sign up to: we work directly with a few groups, one at a time, and find out what they actually need before we build for anyone else.
We invite people ourselves, and anyone who asks is welcome. What we learn goes into the tools, the skills and the documents that everyone can use.
Free, hands-on help with three things.
From the people who build Salpa. You do not need to start with anything advanced.
Using Salpa
We work through your first workflows with you, on your own data: installing, building a graph, running it, reading the results. No experience with the app needed.
Building nodes and packages
Turn a tool or a method of yours into a node others can run. We help with the design, the testing and publishing it to the Hub. The Hub and the node tooling are open, so what you build can be shared.
Runs on your cluster
If you have an HPC account, we help you connect Salpa to it, submit a longer run, and make sense of the results.
A few of the people we invite also try our agent features early. They are still being built, so we invite individually, and tell you plainly what they can and cannot do yet.
Molecular dynamics, from a PDB code.
Give the pdbmdauto workflow any entry from the Protein Data Bank and it prepares the protein for simulation, then runs a short test. About five minutes of computer time on a laptop.
Get Salpa
The app is free, for macOS, Linux and Windows. Add the pdbmdauto workflow from the Hub.
Bring a structure
Type any PDB code, or point to a file you already have.
Press Run
Eleven steps rebuild missing residues, add hydrogens for your pH, put the protein in water, relax it, and run a short test simulation.
Look at the result
Simulation-ready files and a first trajectory, on your own computer. We go through them with you.
It prepares proteins: ligands, cofactors, metals and crystal waters are removed, and the test run is two picoseconds, a check rather than a result. From there it is your question: a longer run on your cluster, or a workflow of your own.
The tutorial: your own protein ↗The step-by-step walkthrough ↗
A short email, then a conversation.
You write to us
A few lines: what you work on, and what you would like to get running.
We talk
A short call to understand the work and to choose a first task together.
We work through it
You use Salpa and we help, see what gets in your way, and fix it.
Salpa runs on your own computer, so your structures and results stay with you unless you choose to share them. We ask for one thing in return: tell us what worked and what did not.
Tell us what you work on.
A few lines are enough: the system you study, the method you use, and what you would like to get running. We write back.