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rachelnwalker
approved these changes
Nov 26, 2025
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PLEASE DO NOT MODIFY template_smiles.h DIRECTLY
Add your templates to the templates.smi file in this repository. Add one CXSMILES per line, and please do not insert any blank lines.
Commit your changes and create the PR. The CI workflow will run on the new templates and validate them, and once they are approved, they will be automatically added to the header.
For more information please check https://github.com/rdkit/molecular_templates/blob/main/README.md