Many molecular modelers face the same recurring issue: their toolkits almost—but not quite—do everything they need. Maybe it’s a specific simulation engine, a niche file importer, or simply a preferred workflow that doesn’t easily integrate with existing interfaces. When this happens, researchers are often stuck writing separate scripts or switching between incompatible platforms, which not only increases the error rate but slows down innovation.
If you’ve encountered this frustration, building your own extension in SAMSON might be an efficient solution. Thanks to its open and modular architecture, SAMSON allows users to create custom modules—also known as SAMSON Extensions—suited to highly specialized workflows. Whether you’re simulating a quantum system or visualizing protein-ligand interactions in a very specific way, extensions let you embed that functionality right into SAMSON’s interface.
Why build an extension?
Beyond solving technical gaps, creating your SAMSON Extension means:
- Unifying your research environment by integrating your existing code or third-party tools.
- Improving reproducibility and consistency of your simulations and analyses.
- Sharing your tool with collaborators—or even publishing it to the SAMSON Connect Marketplace.
What can you build?
The SAMSON SDK (Software Development Kit) lets you develop different types of extensions tailored to your needs:
- Apps: Add new interface features, connect to external APIs, or wrap legacy code.
- Editors: Add new editing tools, molecular structure generators, or transformation utilities.
- Importers/Exporters: Add support for custom file formats used in your field.
- Force Fields: Implement new interaction models or computational methods.
- Simulation Engines: Create state updaters such as specific Monte Carlo or dynamic algorithms.
You’re not limited to computation-heavy components—extensions can also simply include tutorials, workspaces, selectors, or other workflow-enhancing features.
How to get started
1. Download the SDK: First, log in to SAMSON Connect and download the SDK from the Download page.
2. Use provided templates: The SDK includes templates that streamline the creation of apps, editors, etc., reducing boilerplate code and helping you set up faster.
3. Focus on your logic: SAMSON handles the heavy lifting of rendering, data management, and event handling, so you can focus on your scientific application.
4. Deploy easily: Once developed, your extension can be compiled multiplatform and deployed across different systems thanks to SAMSON’s infrastructure.
Distribute or share your extension
Done building? You can choose to keep it private, share it with your colleagues, or publish it on SAMSON Connect. SAMSON even supports subscription models via Stripe—letting you offer different pricing tiers for academia and industry if you decide to make your extension public.
Whether you’re streamlining repetitive tasks or introducing innovative simulation features, building a SAMSON Extension can make a meaningful difference in your workflow. And if you collaborate with other labs or publish software, it’s a great way to give your peers access to your tools in a structured, reproducible format.
To learn more about extension development, check out the full documentation here.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get started by downloading SAMSON at https://www.samson-connect.net.