The company · Leiden, the Netherlands

Toward open, reproducible molecular science

We are releasing Salpa, a modern, best-practice visual workflow tool for scientific computing. We are building the community and the developer tools around it. We aim to boost open science and molecular-science solutions, collaboratively.

Salpa 0.15.0 · macOS · Linux · Windows · free

IllustrationPDBmdAuto template · 11 nodes · a PDB code in, an MD-ready system out
1234567891011a PDB codegoes inan MD-readysystemcomes outHOMOLOGY MODELLINGNODES 1–5STRUCTURE PREPARATIONNODE 6MD PREPARATIONNODES 7–10MD EXECUTIONNODE 111PDB FASTA ParserHOMOLOGY MODELLING · 1–52Generate Alignment3Multi-Chain Alignment4Merge PDB Chains5Fix Missing Residues6pKa + GROMACS EMSTRUCTURE PREPARATION · 67Original Atom GroupsMD PREPARATION · 7–108GMX MD Relaxation9GMX Solvate & Ionize10GMX MD Relaxation11GROMACS MD Run (Local)MD EXECUTION · 11a PDB code goes inan MD-ready system comes out

Our work, in three layers

Deep methods. Hard problems. No barriers.

Advanced scientific computing, within every researcher’s reach.

52.16 N, 4.49 E
  • The science underneath

    Foundation

    Methods from our own research in multiscale simulation and metal chemistry, built on the open tools of the field.

    On the mapBroad, calm ground.

  • Where we push it

    Harness

    Hard problems in health, starting with bond-forming and metal-containing inhibitors. We break each design question into physical questions and answer them from first principles.

    For a light-activated, metal-based compound, three questions decide whether it works:

    Release
    Does it release its payload under light?
    Reach
    Does the released inhibitor reach and react with its target?
    Binding
    Where does the metal bind?

    We are preparing a research programme on this with a partner laboratory.

    On the mapThe contours tighten around one peak, with two summits: bond-forming (covalent) inhibitors, and metal-containing compounds.

  • How you reach it

    Channel

    Salpa takes away the code, the setup and the hardware, and we help you with the rest.

    On the mapA ridge of code, setup and hardware, and a route through the pass.

Four products, free to start

salpa.app

See Salpa run

More recordings
A real 15-node metallopeptide MD workflow on the Salpa canvas, recorded from the live app.

Salpa Foundry, in three phases

How we work with research groups and partners.

Phase 0

Land

Free, hands-on help getting a workflow running on your own work.

Status
Live since 1 Oct 2026
Help with
Salpa, nodes and packages, your own cluster
First task
Molecular dynamics from a PDB code
Phase 1

Collaborate

One hard case, a workflow that has to survive, or a joint research project, on methods that stay open.

Status
In preparation
Help with
One hard case, or a joint project
Methods
Stay open
Phase 2

Deliver

Designed candidates and materials, confirmed in a partner laboratory.

Status
Planned
Delivers
Candidates and materials
Confirmed in
A partner laboratory

Salpa Foundry · Phase 0 · live since 1 Oct 2026

Join Salpa Foundry

Free, hands-on help to get a workflow running on your own work.

A good first task: molecular dynamics from a PDB code, about five minutes on a laptop.

Salpa 0.15.0

The current version of the desktop app, free for macOS, Linux and Windows.

Date
6 Oct 2026
Category
Release

Salpa Foundry opens

Salpa Foundry is the network we are starting for people who use and build computational methods in molecular science. Its first step, Phase 0, is free and hands-on: we help a few research groups at a time get a workflow running on their own work, starting with molecular dynamics from a PDB code. To join, write to dev@bocores.com.

Date
1 Oct 2026
Category
Community

Jacob Woltjer joins as cofounder

Jacob Woltjer joins BoundaryComputing as cofounder, leading business development. He comes to it as a user first: eight months building real workflows in Salpa for his MSc thesis — AI protein generative models, quantum-chemistry force-field parameterization and all-atom MD in a single pipeline — defended in July with a top mark.

Date
1 Sep 2026
Category
Team

Earlier