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Configuration Presets

The 3D molecule generation, Structure-directed generation, and Model training tabs include a Presets bar that lets you save and restore named parameter configurations. Presets are stored as JSON files on disk and survive server restarts.

Saving a preset

  1. Configure all parameters as desired.
  2. In the Presets bar, type a name in the text field.
  3. Click Save current.

The current values of all parameters — including property targets, scaffold XYZ, and atom selection — are written to disk.

If the name already matches an existing preset, saving does not silently overwrite it: a warning row appears ("<name>" already exists.) with Overwrite and Cancel buttons. Click Overwrite to replace the existing preset with the current values, or Cancel to back out and pick a different name.

Loading a preset

Pick a preset from the dropdown, then click Load. All parameters are restored to the saved values. Any unsaved current values are overwritten without further confirmation.

Downloading and deleting

With a preset selected in the dropdown:

  • Download exports the preset (name, page, creation time, and full config) as a .json file.
  • Delete removes it immediately. A toast with an Undo action appears briefly afterward — click it to restore the preset (it is recreated with a new internal ID, but the same name and config).

Notes

  • Presets are per-page: each tab (3D molecule generation, Structure-directed generation, Model training) keeps its own preset list; presets saved on one tab do not appear on the others.
  • Scaffold XYZ content is embedded in the preset; the original file path is not stored.