If you’re a molecular modeler, you’ve likely faced challenges managing complex computations such as protein structure predictions or molecular dynamics simulations. Whether it’s keeping track of large simulations, downloading results, or ensuring everything runs smoothly in the cloud, the process can sometimes feel overwhelming. SAMSON’s Job Manager offers a streamlined way to manage and monitor your cloud-based calculations, allowing you to focus on what matters most: your research.
What is the Job Manager?
The Job Manager in SAMSON is designed to help you efficiently handle computational jobs running in the cloud. Accessible via Interface > Job manager, it gives you a central location to create, execute, and monitor cloud-based computations, such as those powered by AlphaFold, NVIDIA BioNeMo Services, or GROMACS.
Here are some of the key features of the Job Manager:
- Create jobs from SAMSON for suitable extensions.
- Start, pause, or stop computations in the cloud and monitor their progress in real time.
- Easily retrieve results back into SAMSON to analyze and integrate into your workflow.
Managing Job Details
The Job Manager interface makes it easy to view and edit job details. Simply click on a job to see its corresponding details on the right-hand panel of the Job Manager. Here, you can:
- Edit the job name and notes—these updates sync automatically to your SAMSON Connect account.
- Download all job-related files with a simple double-click.
Using the Context Menu
The Job Manager’s Context Menu offers quick access to all files related to a job. You can:
- Locate local files that were already downloaded.
- Retrieve remote files stored in the cloud.
- Access the job view directly on SAMSON Connect.
This feature significantly simplifies the process of managing different versions of your computational jobs.
Why Use the Job Manager?
Molecular modeling often demands intensive computations, and keeping jobs organized can be tedious. The Job Manager minimizes manual effort and ensures that you can monitor job statuses, retrieve results instantly, and even share jobs with collaborators via SAMSON Connect. This tool is especially valuable for large projects where collaboration and efficient resource management are critical.
To dive deeper into SAMSON’s cloud-based computation capabilities, visit the official documentation page.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.