HOFSyn

HOFSyn: The First Structure and Synthesis Dataset for Hydrogen-Bonded Organic Frameworks (HOFs)<br><b>HOFSyn</b> is the first curated dataset of Hydrogen-Bonded Organic Frameworks (HOFs) containing both crystal structure files and experimentally reported synthesis conditions. This dataset is intended to support machine learning and data-driven research in porous materials. Dataset Contents<br>- <code><strong>HOF_database.csv</strong></code> A CSV file containing synthesis conditions and physical properties for all real HOFs in the HOFSyn dataset. <br>- <code><strong>HOF_Literature.zip</strong></code> A compressed archive of original reference literature (PDF format) used to curate the HOFSyn dataset.<br>- <code><strong>hof_database_cifs_raw.zip</strong></code> A set of processed `.cif` structure files converted and filtered using `pymatgen`. - All structures are standardized to space group <b>P1</b> - These files are directly compatible with training pipelines for models such as <b>HOFNet</b> and <b>HOFDiff</b> <br>- <code><strong>cifs.zip</strong></code> The raw `.cif` files originally downloaded from the literature and databases. - <code><strong>HOFSyn EndNote Library.rtf</strong></code> A formatted bibliography (in RTF format) of all references cited for the HOFSyn dataset, suitable for importing into reference managers such as EndNote or Zotero.<br><br>