When working in molecular modeling, it’s not uncommon to bump into limitations: maybe you want to use a specialized algorithm you published, or add support for a new file format, or even create a visualization style that better reflects your research needs. What if your modeling environment could evolve along with your research?
This is exactly where SAMSON Extensions come into play. SAMSON, the integrative platform for molecular design, allows you to create your own modules—called Extensions—and integrate them seamlessly into the platform. Whether you want to automate workflows, develop new molecular mechanics methods, or connect to external software, Extensions give you full control over what SAMSON can do.
Let’s explore how you can start creating your own Extensions with SAMSON’s SDK.
What is a SAMSON Extension?
An Extension is a module that adds new capabilities to SAMSON. It can take many forms:
- An app that connects SAMSON to external software or exposes new functionality
- An editor that allows for interactive manipulations in the viewport (e.g. bond builders, structure deformers)
- Models, such as force fields or visual representations
- Importers/exporters to handle specific file types
- State updaters that drive simulations using your own protocols
Why Develop an Extension?
Let’s say you’ve developed a new Monte Carlo-based optimizer. Your current workflow might involve exporting structures, running calculations externally, then re-importing the results. With a customized Extension, you could run your optimizer directly within SAMSON’s interactive interface—or even perform simulations in the Cloud using SAMSON’s infrastructure.
Another common use case is visualization. Suppose you’re studying novel molecules with unique conformation properties and want to implement a visual style that highlights specific interactions. You can code your own visual model Extension, and deploy it inside SAMSON just like any native tool.
Getting Started with the SDK
To develop an Extension, you first need the SAMSON SDK. Just sign in at SAMSON Connect and go to the Download page to install the SDK.
The SDK offers templates and tools to simplify development. These templates support core Extension types (apps, editors, state updaters, etc.), allowing you to focus on your algorithms without needing to reinvent the wheel for data handling or visualization.
Once done, your Extension can be compiled and deployed across platforms. The development environment is well-suited for both rapid prototyping and high-performance deployment.
Sharing Your Extension
Finished your Extension? You can distribute it on SAMSON Connect – Marketplace. Whether your goal is to share it freely or monetize it via subscriptions, SAMSON provides a structure to support distribution. Through its payment partner Stripe, you can offer different pricing tiers—especially useful if you want to support both academic and industrial users with separate plans.
Conclusion
Whether you’re working in academia or industry, developing a SAMSON Extension can streamline your molecular modeling work and make your tools accessible to the broader scientific community. By integrating your methods directly into SAMSON, you remove friction from your workflow—and potentially help others do the same.
Learn more in the official SAMSON documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.