If you’ve ever launched molecular simulations in the cloud—such as protein structure predictions or molecular dynamics simulations—you know that managing these jobs efficiently can quickly become a challenge. You might lose track of which simulations are running, which ones have finished, or how to download their results. And if you’re using cloud computing regularly, a structured workflow becomes essential to avoid wasting both time and cloud credits.
That’s where the Job Manager in SAMSON comes in. This feature offers a straightforward, organized way to monitor, control, and retrieve your cloud-based computational work right within the SAMSON interface.
What is the SAMSON Job Manager?
The Job Manager provides an interface for users to:
- Create simulation or prediction jobs using SAMSON extensions that support cloud execution (like AlphaFold, NVIDIA BioNeMo, and GROMACS).
- Start, pause, or stop jobs and follow their progress in real time.
- Retrieve results directly into SAMSON once a job is complete.
Viewing Job Details
Clicking on a job in the manager reveals detailed information on the right side of the interface. This can include status updates, timestamps, error logs, and other relevant metadata.
Edit and Annotate Your Work
To stay organized—especially if you’re running numerous jobs—you can rename each job and add notes. These details are automatically synchronized with your SAMSON Connect account, ensuring that they are always accessible wherever you log in.
Download Results with a Double Click
Once your job is complete, retrieving data is as simple as double-clicking the job entry. All associated files are downloaded into your local environment and ready for analysis.
Access Context-Specific Options
Right-clicking on any job opens a context menu that provides access to:
- Local files (if already downloaded)
- Remote files (still stored in the cloud)
- The job view on SAMSON Connect, enabling collaboration and sharing
Keeping simulations organized is key to making the most of cloud computing. Whether you’re running a few protein predictions or large-scale molecular dynamics batches, the Job Manager ensures you always know what’s going on—and where to find your results.
To learn more, visit the full documentation page at https://documentation.samson-connect.net/users/latest/cloud/.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.