Interactive Grid of Molecules

Creates an interactive grid of molecules from a table containing SMILES, for visualization or filtering, using the mols2grid Python library.

You can make simple text searches using the text bar on the bottom right, or make substructure queries by clicking on 🔎 > SMARTS, and then using the text search again.

Each molecule in the grid can be selected by clicking on the corresponding checkbox, and the selection is automatically exported as a table available in the output. You can also export your selection as a CSV or SMILES file by clicking on ☑.
If you're making selections, a popup window mentioning that "view settings were changed" will open when you close the grid view. Please make sure to click on "Apply settings temporarily", otherwise the selection will not be available in the output table.

Report any bug/issues or provide feedback on the GitHub page of the project:
https://github.com/cbouy/mols2grid/issues

Input ports

1. Type: Table
   Input table
   Table containing a column of SMILES strings

Output ports

1. Type: Table
   Selected entries
   Table containing the selected entries