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Biomni draws 2D structures for molecule files and lets you draw molecules to send to a task or add to a result file.

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Preview molecule files

Open a supported file to see its structures:
  • SDF files open as a 2D table, a 2D grid, or a 3D structure.
  • CSV, TSV, and SMI files draw SMILES columns in place. Biomni detects structure columns, and you can choose which columns are drawn.
Large libraries are split into pages.

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Draw a molecule for a message

  1. Select + Add in the composer.
  2. Choose Draw molecule.
  3. Draw the structure and select Add.
The drawing is saved as a SMILES (.smi) file in the project’s drawn-molecules-input folder and attached to your message. Add one molecule at a time.

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Edit molecules in a result file

SDF, CSV, TSV, and SMI files generated by a task can be edited from their preview:
  • Add molecule appends a new structure to the end of the file. Only the structure is added; other columns stay empty.
  • Edit molecule (the pencil on a structure in the table, or the tile menu in the grid) opens the structure in the editor:
    • Save changes replaces the structure. Other values in that row are left out unless you tick them under Keep values, because they may not describe the new structure.
    • Add as new molecule appends the edited structure and leaves the original unchanged.
  • Delete in the row or tile menu removes that molecule.
Saving changes and deleting both show an Undo option.
Editing is available for task result files up to 25 MB, once the agent has finished. A file must keep at least one molecule. Files in shared replays and project files outside a task’s results can be previewed but not edited. Drawing and editing molecules may not be enabled in every workspace.
For other file actions, see Projects & Drive.