Phase 0Land
Free, hands-on help getting a workflow running on your own work: using Salpa, building nodes and packages, runs on your own cluster.
Tell us what you work onSalpa 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
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.
About BoundaryComputingFrom the people who build Salpa. You do not need to start with anything advanced.
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.
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.
If you have an HPC account, we help you connect Salpa to it, submit a longer run, and make sense of the results.
For a fewEarly access to the Salpa assistant comes with an invitation; it is still being built, so we invite people one at a time and tell you plainly what it can and cannot do yet.
Give the pdbmdauto workflow any entry from the Protein Data Bank and it prepares the protein for simulation, then runs a short test.
The app is free, for macOS, Linux and Windows. Add the pdbmdauto workflow from the Hub; it runs on Linux and macOS.
Type any PDB code, or point to a file you already have.
Eleven steps rebuild missing residues, add hydrogens for your pH, put the protein in water, relax it, and run a short test simulation.
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. From there it is your question: a longer run on your cluster, or a workflow of your own.
A few lines: what you work on, and what you would like to get running.
A short call to understand the work and to choose a first task together.
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.
Free, hands-on help getting a workflow running on your own work: using Salpa, building nodes and packages, runs on your own cluster.
Tell us what you work onOne hard case, a workflow that has to survive, or a joint research project, on methods that stay open.
Designed candidates and materials, confirmed in a partner laboratory.
A few lines are enough: the system you study, the method you use, and what you would like to get running. We write back.
What to write
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