{"id":"https://openalex.org/W7127588913","doi":"https://doi.org/10.1038/s41597-026-06628-2","title":"Open Molecular Crystals 2025 (OMC25) dataset and models","display_name":"Open Molecular Crystals 2025 (OMC25) dataset and models","publication_year":2026,"publication_date":"2026-02-04","ids":{"openalex":"https://openalex.org/W7127588913","doi":"https://doi.org/10.1038/s41597-026-06628-2","pmid":"https://pubmed.ncbi.nlm.nih.gov/41639080","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/12979844"},"language":"en","primary_location":{"id":"doi:10.1038/s41597-026-06628-2","doi":"https://doi.org/10.1038/s41597-026-06628-2","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41597-026-06628-2","pdf_url":"https://www.nature.com/articles/s41597-026-06628-2_reference.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},"volume":null,"type":"data-paper","is_traditional":true,"indexed_in":["arxiv","crossref","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.nature.com/articles/s41597-026-06628-2_reference.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5114730529","display_name":"Vahe Gharakhanyan","orcid":"https://orcid.org/0000-0001-6396-2918","observed_orcids":["https://orcid.org/0000-0001-6396-2918"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Vahe Gharakhanyan","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US. vaheg@meta.com"],"raw_orcid":"https://orcid.org/0000-0001-6396-2918","affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US. vaheg@meta.com","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044661546","display_name":"Luis Barroso-Luque","orcid":"https://orcid.org/0000-0002-6453-9545","observed_orcids":["https://orcid.org/0000-0002-6453-9545"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Luis Barroso-Luque","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102963222","display_name":"Yi Yang","orcid":"https://orcid.org/0000-0001-9905-126X","observed_orcids":["https://orcid.org/0000-0001-9905-126X"]},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yi Yang","raw_affiliation_strings":["Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004640526","display_name":"Muhammed Shuaibi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Muhammed Shuaibi","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066402865","display_name":"Kyle Jay Michel","orcid":"https://orcid.org/0000-0002-0386-8273","observed_orcids":["https://orcid.org/0000-0002-0386-8273"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kyle Michel","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011198932","display_name":"Daniel S. Levine","orcid":"https://orcid.org/0000-0001-8921-3659","observed_orcids":["https://orcid.org/0000-0001-8921-3659"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel S. Levine","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085078085","display_name":"Misko Dzamba","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Misko Dzamba","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056242193","display_name":"Xiang Fu","orcid":"https://orcid.org/0000-0001-7480-6312","observed_orcids":["https://orcid.org/0000-0001-7480-6312"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xiang Fu","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5137637468","display_name":"Meng GAO","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Meng Gao","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5138752862","display_name":"Xingyu Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Xingyu Liu","raw_affiliation_strings":["Reality Labs Research, Meta, Redmond, WA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Reality Labs Research, Meta, Redmond, WA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5124880130","display_name":"Haoran Ni","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Haoran Ni","raw_affiliation_strings":["Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053603521","display_name":"Keian Noori","orcid":"https://orcid.org/0000-0003-1939-7477","observed_orcids":["https://orcid.org/0000-0003-1939-7477"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Keian Noori","raw_affiliation_strings":["Reality Labs Research, Meta, Redmond, WA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Reality Labs Research, Meta, Redmond, WA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025572627","display_name":"Brandon M. Wood","orcid":"https://orcid.org/0000-0002-7251-337X","observed_orcids":["https://orcid.org/0000-0002-7251-337X"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brandon M. Wood","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010182611","display_name":"Matt Uyttendaele","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Matt Uyttendaele","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005455876","display_name":"Arman Boromand","orcid":"https://orcid.org/0000-0002-8772-0822","observed_orcids":["https://orcid.org/0000-0002-8772-0822"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Arman Boromand","raw_affiliation_strings":["Reality Labs Research, Meta, Redmond, WA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Reality Labs Research, Meta, Redmond, WA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058450549","display_name":"C. Lawrence Zitnick","orcid":"https://orcid.org/0009-0006-2032-9374","observed_orcids":["https://orcid.org/0009-0006-2032-9374"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"C. Lawrence Zitnick","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057094529","display_name":"Noa Marom","orcid":"https://orcid.org/0000-0002-1508-1312","observed_orcids":["https://orcid.org/0000-0002-1508-1312"]},"institutions":[{"id":"https://openalex.org/I74973139","display_name":"Carnegie Mellon University","ror":"https://ror.org/05x2bcf33","country_code":"US","type":"education","lineage":["https://openalex.org/I74973139"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Noa Marom","raw_affiliation_strings":["Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu","Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu","Department of Physics, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu"],"raw_orcid":"https://orcid.org/0000-0002-1508-1312","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu","institution_ids":["https://openalex.org/I74973139"]},{"raw_affiliation_string":"Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu","institution_ids":["https://openalex.org/I74973139"]},{"raw_affiliation_string":"Department of Physics, Carnegie Mellon University, Pittsburgh, PA, USA. nmarom@andrew.cmu.edu","institution_ids":["https://openalex.org/I74973139"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024574386","display_name":"Zachary W. Ulissi","orcid":"https://orcid.org/0000-0002-9401-4918","observed_orcids":["https://orcid.org/0000-0002-9401-4918"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Zachary W. Ulissi","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US. zulissi@meta.com"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US. zulissi@meta.com","institution_ids":["https://openalex.org/I4210114444"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047764126","display_name":"Anuroop Sriram","orcid":"https://orcid.org/0000-0001-6295-7535","observed_orcids":["https://orcid.org/0000-0001-6295-7535"]},"institutions":[{"id":"https://openalex.org/I4210114444","display_name":"Meta (United States)","ror":"https://ror.org/01zbnvs85","country_code":"US","type":"company","lineage":["https://openalex.org/I4210114444"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Anuroop Sriram","raw_affiliation_strings":["Fundamental AI Research, Meta, San Francisco, CA, US. anuroops@meta.com"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fundamental AI Research, Meta, San Francisco, CA, US. anuroops@meta.com","institution_ids":["https://openalex.org/I4210114444"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5024574386","https://openalex.org/A5047764126","https://openalex.org/A5057094529","https://openalex.org/A5114730529"],"corresponding_institution_ids":["https://openalex.org/I4210114444","https://openalex.org/I74973139"],"apc_list":{"value":2490,"currency":"USD","value_usd":2490},"apc_paid":{"value":2490,"currency":"USD","value_usd":2490},"fwci":null,"has_fulltext":true,"cited_by_count":61,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":"13","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.003100000089034438,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-crystals","display_name":"molecular crystals","score":0.9929999709129333},{"id":"https://openalex.org/keywords/crystal-structure-prediction","display_name":"crystal structure prediction","score":0.8009999990463257},{"id":"https://openalex.org/keywords/machine-learning-interatomic-potentials","display_name":"machine learning interatomic potentials","score":0.8100000023841858},{"id":"https://openalex.org/keywords/crystal-packing-motifs","display_name":"crystal packing motifs","score":0.6269999742507935},{"id":"https://openalex.org/keywords/intermolecular-interactions","display_name":"intermolecular interactions","score":0.9290000200271606},{"id":"https://openalex.org/keywords/pbe-d3","display_name":"PBE-D3","score":0.9229999780654907},{"id":"https://openalex.org/keywords/organic-compounds","display_name":"organic compounds","score":0.6880000233650208},{"id":"https://openalex.org/keywords/crystal-property-prediction","display_name":"crystal property prediction","score":0.4259999990463257}],"concepts":[{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.6635000109672546},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.5782999992370605},{"id":"https://openalex.org/C84947059","wikidata":"https://www.wikidata.org/wiki/Q5191417","display_name":"Crystal structure prediction","level":3,"score":0.5598000288009644},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5544000267982483},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5163000226020813},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.43540000915527344},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.4178999960422516},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.4154999852180481},{"id":"https://openalex.org/C177562468","wikidata":"https://www.wikidata.org/wiki/Q182893","display_name":"Dispersion (optics)","level":2,"score":0.37950000166893005},{"id":"https://openalex.org/C2779530757","wikidata":"https://www.wikidata.org/wiki/Q1207505","display_name":"Quality (philosophy)","level":2,"score":0.3790999948978424},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.37119999527931213},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.36730000376701355},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.35429999232292175},{"id":"https://openalex.org/C2989255885","wikidata":"https://www.wikidata.org/wiki/Q500256","display_name":"Molecular conformation","level":3,"score":0.35089999437332153},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.34619998931884766},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3386000096797943},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.337799996137619},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32120001316070557},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3206999897956848},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31380000710487366},{"id":"https://openalex.org/C2984497647","wikidata":"https://www.wikidata.org/wiki/Q174211","display_name":"Organic molecules","level":3,"score":0.2856999933719635},{"id":"https://openalex.org/C179303850","wikidata":"https://www.wikidata.org/wiki/Q4300362","display_name":"Molecular recognition","level":3,"score":0.27129998803138733},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.259799987077713},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2556999921798706},{"id":"https://openalex.org/C109747225","wikidata":"https://www.wikidata.org/wiki/Q815758","display_name":"Scarcity","level":2,"score":0.25459998846054077},{"id":"https://openalex.org/C122637931","wikidata":"https://www.wikidata.org/wiki/Q118084","display_name":"Unit (ring theory)","level":2,"score":0.2531000077724457},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.2517000138759613}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1038/s41597-026-06628-2","doi":"https://doi.org/10.1038/s41597-026-06628-2","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41597-026-06628-2","pdf_url":"https://www.nature.com/articles/s41597-026-06628-2_reference.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:12979844","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12979844/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12979844/pdf/41597_2026_Article_6628.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Sci Data","raw_type":"Text"},{"id":"pmid:41639080","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41639080","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific data","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:2508.02651","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2508.02651","pdf_url":"https://arxiv.org/pdf/2508.02651","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:doaj.org/article:7e07c72f401a4d9f85f9292e1e190a0b","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/7e07c72f401a4d9f85f9292e1e190a0b","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scientific Data, Vol 13, Iss 1 (2026)","raw_type":"article"},{"id":"doi:10.48550/arxiv.2508.02651","doi":"https://doi.org/10.48550/arxiv.2508.02651","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2508.02651","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.1038/s41597-026-06628-2","doi":"https://doi.org/10.1038/s41597-026-06628-2","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41597-026-06628-2","pdf_url":"https://www.nature.com/articles/s41597-026-06628-2_reference.pdf","source":{"id":"https://openalex.org/S2607323502","display_name":"Scientific Data","issn_l":"2052-4463","issn":["2052-4463"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-b","jufo-1","ki-jl-1","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2395998728","display_name":"Collaborative Research: DMREF: Informed Design of Epitaxial Organic Electronics and Photonics","funder_award_id":"2323749","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G408300824","display_name":null,"funder_award_id":"DMR-2323749","funder_id":"https://openalex.org/F4320337367","funder_display_name":"Division of Materials Research"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320337367","display_name":"Division of Materials Research","ror":"https://ror.org/01pc7k308"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7127588913.pdf","grobid_xml":"https://content.openalex.org/works/W7127588913.grobid-xml"},"referenced_works_count":94,"referenced_works":["https://openalex.org/W1970127494","https://openalex.org/W1972363204","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1984359813","https://openalex.org/W1993720747","https://openalex.org/W1995008519","https://openalex.org/W2005220728","https://openalex.org/W2007395042","https://openalex.org/W2008200902","https://openalex.org/W2008423326","https://openalex.org/W2013027128","https://openalex.org/W2015197254","https://openalex.org/W2020072134","https://openalex.org/W2026912788","https://openalex.org/W2036113194","https://openalex.org/W2038363740","https://openalex.org/W2042796027","https://openalex.org/W2056881087","https://openalex.org/W2059885388","https://openalex.org/W2072432140","https://openalex.org/W2079105963","https://openalex.org/W2080635178","https://openalex.org/W2083222334","https://openalex.org/W2092157292","https://openalex.org/W2104243145","https://openalex.org/W2132022337","https://openalex.org/W2141068582","https://openalex.org/W2143534614","https://openalex.org/W2145025659","https://openalex.org/W2148424525","https://openalex.org/W2153693853","https://openalex.org/W2164352224","https://openalex.org/W2168843969","https://openalex.org/W2319902168","https://openalex.org/W2326268654","https://openalex.org/W2418973097","https://openalex.org/W2541404351","https://openalex.org/W2562476807","https://openalex.org/W2586209903","https://openalex.org/W2594341860","https://openalex.org/W2601081289","https://openalex.org/W2759244979","https://openalex.org/W2768768629","https://openalex.org/W2789472472","https://openalex.org/W2883643517","https://openalex.org/W2884581027","https://openalex.org/W2895639719","https://openalex.org/W2908779670","https://openalex.org/W2909063104","https://openalex.org/W2980613735","https://openalex.org/W3000909438","https://openalex.org/W3002719349","https://openalex.org/W3022256936","https://openalex.org/W3034806393","https://openalex.org/W3082215798","https://openalex.org/W3092425018","https://openalex.org/W3093999435","https://openalex.org/W3109268005","https://openalex.org/W3129018228","https://openalex.org/W4211073687","https://openalex.org/W4283651354","https://openalex.org/W4285674535","https://openalex.org/W4295952241","https://openalex.org/W4312119492","https://openalex.org/W4313545414","https://openalex.org/W4315779565","https://openalex.org/W4321085451","https://openalex.org/W4388307561","https://openalex.org/W4394853928","https://openalex.org/W4396547347","https://openalex.org/W4399309490","https://openalex.org/W4400317808","https://openalex.org/W4403508643","https://openalex.org/W4407925765","https://openalex.org/W4408219420","https://openalex.org/W4409919879","https://openalex.org/W4410079056","https://openalex.org/W4410498985","https://openalex.org/W4411235884","https://openalex.org/W4411543224","https://openalex.org/W4411845957","https://openalex.org/W4415711107","https://openalex.org/W4416112469","https://openalex.org/W4416524231","https://openalex.org/W4417105918","https://openalex.org/W4417151596","https://openalex.org/W4417172971","https://openalex.org/W4417191530","https://openalex.org/W4417439638","https://openalex.org/W6891811738","https://openalex.org/W7115711798","https://openalex.org/W7133185931","https://openalex.org/W7163178478"],"related_works":["https://openalex.org/W7133529023","https://openalex.org/W6891811738","https://openalex.org/W7152519847","https://openalex.org/W4411218774","https://openalex.org/W7213939220","https://openalex.org/W4416771378","https://openalex.org/W3002719349","https://openalex.org/W7163135054","https://openalex.org/W4410561174","https://openalex.org/W7166719577"],"abstract_inverted_index":{"The":[0,65],"development":[1,159],"of":[2,15,24,46,106,115,136,160],"accurate":[3,161],"and":[4,13,56,111,127,133,140,162],"efficient":[5,163],"machine":[6,144,164],"learning":[7,145,165],"models":[8,166],"for":[9,167],"predicting":[10],"the":[11,22,37,62,88,123,131,158],"structure":[12],"properties":[14],"molecular":[16,50,75,168],"crystals":[17],"has":[18],"been":[19],"hindered":[20],"by":[21,69],"scarcity":[23],"publicly":[25,152],"available":[26],"datasets":[27],"with":[28,87,94],"property":[29],"labels.":[30],"To":[31,129],"address":[32],"this":[33,150],"challenge,":[34],"we":[35,138,154],"introduce":[36],"Open":[38],"Molecular":[39],"Crystals":[40],"2025":[41],"(OMC25)":[42],"dataset,":[43],"a":[44,112],"collection":[45],"over":[47,71],"27":[48],"million":[49],"crystal":[51,76,116],"structures":[52],"containing":[53],"12":[54],"elements":[55],"up":[57],"to":[58,156],"300":[59],"atoms":[60],"in":[61],"unit":[63],"cell.":[64],"dataset":[66,151],"was":[67],"created":[68],"relaxing":[70],"230,000":[72],"randomly":[73],"constructed":[74],"structures-representing":[77],"approximately":[78],"50,000":[79],"organic":[80],"molecules-using":[81],"dispersion-inclusive":[82],"density":[83],"functional":[84,92],"theory":[85],"(DFT)":[86],"Perdew-Burke-Ernzerhof":[89],"(PBE)":[90],"exchange-correlation":[91],"combined":[93],"Grimme's":[95],"D3":[96],"dispersion":[97],"correction":[98],"(PBE+D3).":[99],"OMC25":[100],"comprises":[101],"diverse":[102],"chemical":[103],"compounds":[104],"capable":[105],"forming":[107],"different":[108],"intermolecular":[109],"interactions":[110],"wide":[113],"range":[114],"packing":[117],"motifs.":[118],"We":[119],"provide":[120],"information":[121],"on":[122],"dataset's":[124],"construction,":[125],"composition,":[126],"properties.":[128],"demonstrate":[130],"quality":[132],"use":[134],"cases":[135],"OMC25,":[137],"trained":[139],"evaluated":[141],"state-of-the-art":[142],"open-source":[143],"interatomic":[146],"potentials.":[147],"By":[148],"making":[149],"available,":[153],"aim":[155],"accelerate":[157],"crystals.":[169]},"counts_by_year":[{"year":2026,"cited_by_count":54},{"year":2025,"cited_by_count":7}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2026-02-06T00:00:00"}
