Running molecular simulations in the cloud saves time and computational resources—but comes with its own challenges. How can you monitor your progress, retrieve your data, and fine-tune your workflow without a local copy of everything? That’s where the Job Manager in SAMSON comes in.
The Job Manager gives molecular modelers a central place for managing simulations that have been launched in the cloud: from protein structure predictions using AlphaFold or NVIDIA BioNeMo, to molecular dynamics simulations with GROMACS. Here’s how it helps solve a common pain point: staying in control of your remote jobs without drowning in emails, folders, and manual tracking.
Why the Job Manager matters
Many molecular modelers run jobs configured through different software environments, manually transfer output files back and forth, and sometimes lose track of which job is which. Managing iterations becomes difficult, especially when modifying parameters on the fly.
The SAMSON Job Manager makes this simpler by allowing you to:
- Create jobs in the cloud directly from SAMSON Extensions that support them.
- Execute and monitor jobs–start, pause, stop–and view real-time statuses.
- Click to get results right back into SAMSON.
- Add notes and rename jobs to stay organized.
Everything in one view
Opening the Job Manager is simple: click Interface > Job manager from within SAMSON, or use the keyboard shortcut (Ctrl+6 or Cmd+6 depending on your OS). You’ll be welcomed with a clear list of your active and completed jobs. Click any job to reveal its details on the right.
You can rename your jobs or add notes—for example, to describe updated settings, hypothesis, or results highlights. These edits automatically sync with your SAMSON Connect account, so they’re available across your devices.
Working with your files
Double-clicking on a job downloads all its associated files. A context menu gives fast access to local files as well as those still stored remotely in the cloud.
It’s a small touch, but one that clears up a significant hassle: keeping track of which files have already been downloaded, which are only in the cloud, and jumping straight to them.
Need to share or collaborate?
The Job Manager also integrates with SAMSON Connect, so that you can share jobs with collaborators or keep them private. This is helpful when you want to review simulations together, or avoid duplicating effort across a team.
Tip: You can also earn free Cloud Computing Credits by referring friends or colleagues.
Where to go next
To dive deeper into what you can do with cloud computations in SAMSON, visit the full 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.