| name | molecule-collection |
| description | Use when reviewing SDF or molecule-property collections with bounded tables, filters, selected-molecule handoff, and Burrete panels. |
Molecule Collection
Use this workflow for SDF sets, property tables, score tables, filtered
collections, and selected molecule review.
Workflow
- Prepare or receive a local SDF/CSV/JSON artifact outside Burrete when
computation is required.
- Validate the collection as a bounded molecular artifact before rendering.
- Render reviewed rows in a Burrete side panel or open the collection as a
normal workspace document.
- If the user selects a row, hand the selected molecule or derived structure
back to
open-workspace or molstar-scene.
Data Contract
Rows should stay compact and reviewable. Keep useful fields for exploration:
- molecule id or title;
- SMILES or source record id when safe;
- score or property columns;
- filter flags;
- source path or run id.
Do not claim filtering or property calculation happened inside Burrete unless a
Burrete runtime actually performed it. Prefer external RDKit or workflow tools
for chemistry computation, then display the reviewed results in Burrete.
