Jobs
The Jobs panel is your compute history dashboard. It lists every calculation you have submitted — whether from the Run Mode UI or the Python SDK — and lets you rename, filter, search, and delete jobs.
Open it by clicking Jobs in the main navigation bar (visible when you are signed in).
What You See
Each job appears as a card with a molecule preview on the left and details on the right:
Card Fields
| Field | Description |
|---|---|
| Preview | A 3D rendering of the molecule. Shows the initial geometry for pending/running jobs and the final geometry for completed jobs. |
| Name | The job name. Editable via the rename button — give jobs descriptive names so they are easy to find later. |
| Type | The calculation type: Single Point Energy, Optimization, IRC, Vibrational Analysis, Conformer Search, etc. |
| Status | One of Pending, Running, Done, Failed, or Cancelled. Each status has a distinct colored badge with a live-pulsing indicator for running jobs. |
| Created | When the job was submitted (local time). |
| CPU time | Core-hours consumed so far. Useful for tracking usage against your balance. |
Actions
Every job card exposes a set of inline action buttons:
- Rename — Change the job name for easier searching. Opens a small dialog where you can set any name (1–120 characters).
- View — Opens the full result viewer in a new tab, where you can inspect geometries, trajectories, energies, and vibrational modes.
- Delete — Permanently removes a terminal job (
Done,Failed, orCancelled). Running or pending jobs must be cancelled first before they can be deleted.
Selecting and Deleting in Bulk
Toggle Select jobs at the top of the filter bar to enter selection mode. While active you can click job cards to select them and then press Delete selected to remove multiple terminal jobs at once. Jobs that are not in a terminal state (Pending or Running) are excluded from bulk deletion.
Filtering and Searching
The filter bar at the top of the panel gives you several controls:
| Control | Purpose |
|---|---|
| Search | Type a job name or molecular formula to narrow the list. |
| Type | Show only a specific calculation type (e.g. Optimization, Single Point Energy). |
| Status | Filter by Pending, Running, Done, Failed, or Cancelled. |
| Sort | Toggle between newest-first and oldest-first ordering. |
| Refresh | Manually reload the job list after submitting new calculations. |
Pagination
The dashboard loads jobs in pages of 24 cards. Use the Previous and Next buttons at the bottom of the panel to move through pages. A summary label shows your position (e.g. 1–24 of 87 jobs).
Session Chip
The top-right chip shows your account name, email, and current core-hour balance so you can keep an eye on usage without leaving the page.
Give your jobs descriptive names — especially after submitting several calculations of the same type. A name like caffeine-opt-b3lyp-def2svp is far more useful than the default assigned name when you come back days later.
You can also rename and delete jobs programmatically through the Python SDK. The dashboard and SDK operate on the same job records, so changes made in either place are reflected everywhere.