{
  "abstract": "Topology-based hypothetical metal–organic framework (MOF) generators enable scalable exploration of chemical space beyond experimentally reported structures, but their accessible design space is constrained by the building blocks and assembly rules they encode. Here, we present PORMAKE2, an upgraded topology-based hypothetical MOF generator designed to improve both access to small-pore structures and geometric fidelity. PORMAKE2 introduces an expanded buildingblock library, including single-metal nodes, and implements symmetry-aware linker rotation for higher-fidelity framework assembly. These upgrades substantially expand the accessible small-pore MOF space and enable MOF designs that were inaccessible to earlier workflows, including ZIF-type and CALF-20-like structures with improved geometrical agreement. Carbon dioxide direct air capture (DAC) and Xenon/Krypton separation are included as case studies demonstrating that improved generator framework can influence downstream screening outcomes. These results establish PORMAKE2 as a more expressive and chemically faithful front-end platform for hypothetical MOF generation.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon, Republic of Korea, 34141"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Jungwoo Lee"
    },
    {
      "affs": [
        0
      ],
      "name": "Younghun Kim",
      "orcid": "0009-0008-8707-7401"
    },
    {
      "affs": [
        0
      ],
      "name": "Gunho Lee"
    },
    {
      "affs": [
        0
      ],
      "name": "Jihan Kim"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/7ny059kf2yn3b.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008555/v1",
  "fulltext_url": null,
  "id": "7ny059kf2yn3b",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008555/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1604|Metal-Organic Frameworks: Synthesis and Applications"
    ]
  ],
  "openalex": "W7212033715",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008555/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-09",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/7ny059kf2yn3b.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:19Z",
      "native_id": "10.26434/chemrxiv.15008555",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008555/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1604|Metal-Organic Frameworks: Synthesis and Applications",
      "subfield": "inorganic"
    }
  ],
  "title": "PORMAKE2: Topology-Based Generation of Hypothetical Metal-Organic Frameworks through Single-Metal Nodes and Symmetry-Aware Linker Rotation",
  "title_text": "PORMAKE2: Topology-Based Generation of Hypothetical Metal-Organic Frameworks through Single-Metal Nodes and Symmetry-Aware Linker Rotation",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:19Z",
  "url": "https://research.draconitic.com/paper/7ny059kf2yn3b",
  "venue": "ChemRxiv",
  "versions": []
}