Running complex molecular simulations in the cloud can be a time-saver, but many molecular modelers find themselves juggling dozens of jobs without a good way to keep everything organized. Whether you’re launching protein folding simulations with AlphaFold, running molecular dynamics with GROMACS, or using NVIDIA BioNeMo services, it’s often unclear what’s running, what’s finished, and where to download your results.
This is where the Job Manager in SAMSON becomes invaluable. It provides a centralized interface to monitor, organize, and retrieve all your cloud-based computational jobs—from any extension that supports SAMSON Cloud Services.
Why Use the Job Manager?
Here’s the problem: when working on multiple research projects with cloud computing tasks, it’s easy to lose track. Did that AlphaFold job finish? Did your GROMACS run crash? Where did those files go? The Job Manager solves these issues by giving you:
- An overview of all your launched jobs
- Control over execution (start, pause, stop)
- Access to both local and cloud-stored files
- A way to sync notes and data with your SAMSON Connect account
Open and Navigate the Job Manager
You can open the Job Manager in SAMSON by clicking on Interface > Job manager or using shortcut keys (Ctrl + 6 on Windows/Linux, Cmd + 6 on macOS).
Monitoring and Managing Jobs
Each job appears in a list, complete with its name, status, and sync state. Clicking on a job reveals the details in a right-side panel. This includes runtime information and metadata such as notes or custom tags, which are automatically synchronized with your SAMSON Connect account.
You can change the job name and write notes, for instance to summarize the system being simulated or the hypothesis being tested—making it easier to revisit past computations later.
Accessing Results Quickly
Need your output files fast? Just double-click a job to download all the associated files.
Each job also has a context menu with shortcuts to:
- Local files: immediately open results already downloaded
- Remote files: fetch data still in the cloud
- SAMSON Connect: view and share the job online
From Confusion to Clarity
If you’ve been tracking simulations through a mix of folders, emails, and mental notes, the Job Manager will likely simplify your workflow dramatically. It can be especially helpful for collaborative teams or lab environments, where organizing and sharing results is critical.
To learn more about cloud computations in SAMSON, including viewing and sharing jobs, visit the official documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.