Many molecular modelers eventually encounter the limitations of pre-existing software tools. Whether it’s a need to automate a repetitive task, implement a custom visualization, or integrate a proprietary force field, there’s often a gap between what’s available and what’s needed. That’s where SAMSON Extensions come in—and the good news is, you can build your own.
SAMSON, the integrative platform for molecular design, can be extended through custom modules called SAMSON Extensions. These are small, focused components that let you tailor your modeling environment. With the SAMSON SDK, creating these Extensions is accessible even if you’re not a seasoned software developer.
What Can You Build?
The SAMSON SDK supports various types of Extensions:
- Apps: Connect external software, perform calculations, or offer custom GUIs.
- Editors: Create or manipulate models using interactive tools.
- Importers/Exporters: Add support for new file formats.
- Visual models: Present your data in custom graphical forms.
- Interaction models: Implement your own energy and force calculation schemes.
- State updaters: Advance simulations using custom algorithms.
This flexibility is ideal for researchers with niche needs or developers seeking to optimize workflows. Say you’re working with a custom force field. Instead of trying to adapt an existing one, you could write an Interaction model that represents your specific equations and integrates directly within SAMSON’s simulation framework.
How Do You Get Started?
To create your own Extension, you’ll need to:
- Download the SAMSON SDK from the SAMSON Connect website (you’ll need to sign in).
- Consult the Developer Guide to install the SDK and understand the Extension structure.
- Start with a code template—most types of Extensions come with samples to help you get started quickly.
Once implemented, your Extension behaves like a native module in SAMSON. You can test it locally and even choose to publish it publicly via the SAMSON Connect Marketplace.
Distribute or Monetize (If You Want To)
SAMSON Extensions aren’t just about building tools for yourself. You can also distribute them to colleagues or the broader community. SAMSON Connect supports subscription-based access using Stripe integration, allowing you to define free and paid tiers for academia and industry.
Don’t Reinvent the Wheel—Extend It
Rather than building yet another standalone scientific tool, the SAMSON Extension model encourages modular development. You get access to powerful underlying infrastructure—like real-time visualization and simulation features—and you can focus on what really matters: your scientific logic.
Whether you’re automating a new workflow, integrating lab data, or just streamlining your own research, SAMSON Extensions provide a practical path toward truly customized molecular design.
To learn more, visit the official documentation on Extending SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.