Molecular modelers often have a favorite script, algorithm, or visualization routine they reach for—something they’ve fine-tuned to match their workflow. But integrating these custom tools into large, extensible platforms can feel out of reach without advanced programming setups, complicated builds, or proprietary barriers.
If you’re using SAMSON, there’s good news: creating and distributing your own modules is not only possible—it’s designed to be accessible. Thanks to SAMSON’s open architecture, users can integrate what they’ve already built into a full-featured molecular design platform.
Why create a SAMSON Extension?
Extensions in SAMSON can be anything from analysis apps to custom force fields, editors for molecular design, and tools for cloud computation. They allow you to wrap existing functionality—or build something entirely new—and fully integrate it into SAMSON’s user interface and data pipeline. And once your extension is ready, you can deploy it across all platforms supported by SAMSON, share it with collaborators, or even offer it through SAMSON Connect for a wider audience.
Start with the SAMSON SDK
To create a SAMSON Extension, download and install the SAMSON Software Development Kit (SDK). The SDK offers templates and tools to help you build apps, editors, models, and more, all while giving you fine control over performance and integration.
The SDK handles a wide array of lower-level tasks that you don’t need to reinvent—such as rendering, state management, or data handling—so you can focus on implementing your logic, algorithms, or interface ideas.
Examples of what you can build
- Apps: Wrappers for external code or web services, such as a custom file converter or a machine-learning prediction tool.
- Editors: New interaction tools, like a custom residue selector or a polymer builder.
- Interaction Models: Your own simulation energy functions or force fields.
- State Updaters: Algorithms for molecular dynamics or conformational sampling.
Deploy and share
Once your extension is completed, it can be distributed via SAMSON Connect. You can choose to share it freely, or provide subscription-based access using SAMSON’s integration with payment provider Stripe. This makes it possible to set up different pricing models for academia and industry.
If you’d rather keep your extension private or restricted to specific collaborators or institutions, you can manage sharing permissions to suit your needs.
One platform, many possibilities
What makes this model useful is that it grows with you. Start with a single analysis script packaged in an app. Later, add a fully interactive visual editor or a simulation model. All these components can interoperate within SAMSON and with other extensions you or others have developed.
To get started, explore the Developer Guide, install the SDK, and check out examples provided in the templates. With this setup, you can make the tools you wish existed—and bring them directly into your molecular modeling workflow.
For full documentation, visit the Extending SAMSON guide.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.