Running complex molecular simulations like AlphaFold predictions or GROMACS calculations in the cloud is a significant step forward in productivity for molecular modelers. But with great scalability comes an important new challenge: managing and retrieving the extensive outputs these jobs generate.
If you’ve ever launched multiple cloud jobs and struggled to remember which simulation did what—or worse, lost track of your results altogether—you’re not alone. Fortunately, SAMSON offers a streamlined solution through the Job Manager. This tool is designed to give researchers more control over their cloud computations without requiring extra infrastructure or storage solutions.
What is the Job Manager?
The Job Manager is SAMSON’s built-in interface for monitoring, organizing, and retrieving jobs launched in the cloud. You can access it directly via the menu: Interface > Job manager.
Why You Might Need This
- You’re working on multiple structures or workflows in parallel.
- You want to track past jobs and revisit their results.
- You collaborate with others and need a quick way to share simulation data.
- You want to avoid digging through folders and tracing filenames manually.
Key Features
The Job Manager offers a variety of helpful tools to support your workflow:
- Real-time monitoring of jobs launched in the cloud—see their status, pause if necessary, or stop them.
- Editable job names and notes, automatically synced with your SAMSON Connect account to help you stay organized.
- Context menu access to both remote and local job files for efficient management.
Customizing job names and recording notes make it easier to understand what each job was about—even weeks later.
Fast Access to Job Results
You can double-click a job in the Job Manager to download all the associated files. This also helps if you want to move results into your local analysis pipeline without opening additional folders manually.
Smart File Navigation with the Context Menu
If time is of the essence and you want direct access to where your files are stored (whether locally or in the cloud), right-click on a job for quick actions. The context menu provides shortcuts to:
- Local files that have already been downloaded
- Remote cloud files
- Job view on SAMSON Connect for sharing or collaboration purposes
Good organization saves time and prevents errors. With the Job Manager, SAMSON makes that organization an integral part of the cloud computing workflow.
To learn more about managing cloud computations in SAMSON, visit the full documentation: https://documentation.samson-connect.net/users/latest/cloud/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net