For molecular modelers working across different machines or collaborating remotely, keeping track of simulation jobs—especially cloud-based ones—can quickly become a challenge. Whether you’re predicting protein structures with AlphaFold or running dynamics using GROMACS, losing oversight of your running jobs, outputs, or status can waste both time and computing resources.
This is where SAMSON’s Job Manager can be extremely helpful. Built directly into the SAMSON molecular design platform, the Job Manager provides a central place to create, launch, track, and retrieve results from cloud-based simulations and computations.
Why use the Job Manager?
The Job Manager becomes particularly valuable when:
- You want to easily start complex jobs in the cloud using compute-heavy services like NVIDIA BioNeMo or GROMACS.
- You manage multiple jobs and need to monitor status and download results efficiently.
- You work in a collaborative environment and need to streamline sharing or accessing jobs via the cloud.
You can start the Job Manager through Interface > Job Manager, or quickly open it using the keyboard shortcut Ctrl+6 (or Cmd+6 on macOS).
Key features of the Job Manager
Here’s what you can achieve directly from the Job Manager interface:
- Create new jobs using SAMSON Extensions that support cloud computation.
- Launch, pause, resume, or stop active simulations or workflows in the cloud.
- Monitor job progress in real-time with detailed status indicators.
- Download results directly into SAMSON by double-clicking the job entry.
- Rename jobs or add notes to keep your workspace organized (these notes sync with your SAMSON Connect account).
The context menu associated with each job also provides fast access to local or cloud-stored files, and even links to the job’s view in SAMSON Connect. This is especially helpful when switching between machines or sharing with collaborators.
Quick file access and synchronization
By double-clicking on any job in the manager, SAMSON will download all associated files—no extra clicks needed. If you rename the job or leave a note for yourself or colleagues, those annotations will automatically sync with your SAMSON Connect account.
Improved collaboration through SAMSON Connect
Any job run through the cloud becomes accessible from your SAMSON Connect account, where access permissions can be managed. Whether you want to keep jobs private or shared within a group, it’s just a few clicks away. This supports collaborative workflows without the hassle of sending files back and forth.
To learn more, visit the original documentation: 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.