If you’re a molecular modeler juggling simulations across heavy-duty software like AlphaFold, GROMACS, or NVIDIA BioNeMo services, you’ve probably experienced the headaches of managing multiple jobs: locating results, checking progress, and syncing data across workstations. This can become tedious—especially if you’re working in a cloud-based environment and trying to keep your cloud jobs aligned with your local workspaces.
One often overlooked solution in SAMSON is the Job Manager. Think of it as your mission control for cloud-based calculations. You can launch, pause, stop, and monitor your modeling jobs directly from within the SAMSON interface, with automatic synchronization back to your SAMSON Connect account.
Quick Access to Job Management
The Job Manager can be opened via Interface > Job Manager within SAMSON, or with shortcuts like Ctrl + 6 for Windows and Cmd + 6 for macOS. Once there, it provides an organized view of all your cloud-based jobs.
What You Can Do with the Job Manager
- Create jobs from compatible SAMSON Extensions.
- Execute jobs in the cloud and control them (start, pause, stop).
- Monitor progress in real-time directly in SAMSON.
- View detailed information about each job instantly—just click on the job.
- Edit a job’s name or notes, which automatically sync with your SAMSON Connect account.
Effortless Data Retrieval
You can download all associated job files (input and output) simply by double-clicking a job. This makes organizing, analyzing, and archiving your simulations more efficient.
Smarter Context Menus
The Job Manager includes a context menu that allows quick access to:
- Local files: Previously downloaded job files.
- Remote files: Still stored in the cloud.
- SAMSON Connect View: Easily navigate to the online interface where you can also manage sharing permissions.
Data Sharing Made Manageable
Cloud jobs aren’t just for your own use. Through your SAMSON Connect account, you can select who gets access to view or collaborate on current jobs. This is especially useful for academic groups and research teams managing disparate efforts.
To learn more about job management tools and other features, visit the full SAMSON Cloud documentation 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.