{"id":"https://openalex.org/W7125147847","doi":"https://doi.org/10.1038/s43588-025-00946-y","title":"PropMolFlow: property-guided molecule generation with geometry-complete flow matching","display_name":"PropMolFlow: property-guided molecule generation with geometry-complete flow matching","publication_year":2026,"publication_date":"2026-01-21","ids":{"openalex":"https://openalex.org/W7125147847","doi":"https://doi.org/10.1038/s43588-025-00946-y","pmid":"https://pubmed.ncbi.nlm.nih.gov/41566059"},"language":"en","primary_location":{"id":"doi:10.1038/s43588-025-00946-y","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s43588-025-00946-y","pdf_url":null,"source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5123487958","display_name":"Cheng Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Cheng Zeng","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, USA","Quantum Theory Project, University of Florida, Gainesville, FL, USA"],"raw_orcid":"https://orcid.org/0000-0002-1296-913X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123473409","display_name":"Jirui Jin","orcid":null},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jirui Jin","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, USA","Quantum Theory Project, University of Florida, Gainesville, FL, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123521001","display_name":"Connor Ambrose","orcid":null},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Connor Ambrose","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, USA","Quantum Theory Project, University of Florida, Gainesville, FL, USA"],"raw_orcid":"https://orcid.org/0009-0000-2819-5792","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110359290","display_name":"George Karypis","orcid":null},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"George Karypis","raw_affiliation_strings":["Department of Computer Science & Engineering, University of Minnesota, Minneapolis, MN, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science & Engineering, University of Minnesota, Minneapolis, MN, USA","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123484362","display_name":"Mark Transtrum","orcid":null},"institutions":[{"id":"https://openalex.org/I100005738","display_name":"Brigham Young University","ror":"https://ror.org/047rhhm47","country_code":"US","type":"education","lineage":["https://openalex.org/I100005738"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mark Transtrum","raw_affiliation_strings":["Department of Physics & Astronomy, Brigham Young University, Provo, UT, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics & Astronomy, Brigham Young University, Provo, UT, USA","institution_ids":["https://openalex.org/I100005738"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026881143","display_name":"Ellad B. Tadmor","orcid":"https://orcid.org/0000-0003-3311-6299"},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ellad B. Tadmor","raw_affiliation_strings":["Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA"],"raw_orcid":"https://orcid.org/0000-0003-3311-6299","affiliations":[{"raw_affiliation_string":"Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043599635","display_name":"Richard G. Hennig","orcid":"https://orcid.org/0000-0003-4933-7686"},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Richard G. Hennig","raw_affiliation_strings":["Department of Materials Science & Engineering, University of Florida, Gainesville, FL, USA","Quantum Theory Project, University of Florida, Gainesville, FL, USA"],"raw_orcid":"https://orcid.org/0000-0003-4933-7686","affiliations":[{"raw_affiliation_string":"Department of Materials Science & Engineering, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123458961","display_name":"Adrian Roitberg","orcid":null},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Adrian Roitberg","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, USA","Quantum Theory Project, University of Florida, Gainesville, FL, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5123494411","display_name":"Stefano Martiniani","orcid":null},"institutions":[{"id":"https://openalex.org/I36672615","display_name":"Courant Institute of Mathematical Sciences","ror":"https://ror.org/037tm7f56","country_code":"US","type":"education","lineage":["https://openalex.org/I36672615","https://openalex.org/I57206974"]},{"id":"https://openalex.org/I4210107338","display_name":"Simons Foundation","ror":"https://ror.org/01cmst727","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I4210107338"]},{"id":"https://openalex.org/I57206974","display_name":"New York University","ror":"https://ror.org/0190ak572","country_code":"US","type":"education","lineage":["https://openalex.org/I57206974"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stefano Martiniani","raw_affiliation_strings":["Center for Neural Science, New York University, New York, NY, USA. sm7683@nyu.edu","Center for Soft Matter Research, Department of Physics, New York University, New York, NY, USA. sm7683@nyu.edu","Courant Institute of Mathematical Sciences, New York University, New York, NY, USA. sm7683@nyu.edu","Simons Center for Computational Physical Chemistry, Department of Chemistry, New York University, New York, NY, USA. sm7683@nyu.edu"],"raw_orcid":"https://orcid.org/0000-0003-2028-2175","affiliations":[{"raw_affiliation_string":"Center for Neural Science, New York University, New York, NY, USA. sm7683@nyu.edu","institution_ids":["https://openalex.org/I57206974"]},{"raw_affiliation_string":"Center for Soft Matter Research, Department of Physics, New York University, New York, NY, USA. sm7683@nyu.edu","institution_ids":["https://openalex.org/I57206974"]},{"raw_affiliation_string":"Courant Institute of Mathematical Sciences, New York University, New York, NY, USA. sm7683@nyu.edu","institution_ids":["https://openalex.org/I36672615"]},{"raw_affiliation_string":"Simons Center for Computational Physical Chemistry, Department of Chemistry, New York University, New York, NY, USA. sm7683@nyu.edu","institution_ids":["https://openalex.org/I4210107338","https://openalex.org/I57206974"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103002421","display_name":"Mingjie Liu","orcid":"https://orcid.org/0000-0002-5341-4448"},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Mingjie Liu","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, USA. mingjieliu@ufl.edu","Quantum Theory Project, University of Florida, Gainesville, FL, USA. mingjieliu@ufl.edu"],"raw_orcid":"https://orcid.org/0000-0002-5341-4448","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, USA. mingjieliu@ufl.edu","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, USA. mingjieliu@ufl.edu","institution_ids":["https://openalex.org/I33213144"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5103002421"],"corresponding_institution_ids":["https://openalex.org/I33213144"],"apc_list":{"value":9750,"currency":"EUR","value_usd":11690},"apc_paid":null,"fwci":21.0686,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.99184699,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"6","issue":"3","first_page":"233","last_page":"242"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.3901999890804291,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11407","display_name":"Innovative Microfluidic and Catalytic Techniques Innovation","score":0.3901999890804291,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.16179999709129333,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.05719999969005585,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/scalar","display_name":"Scalar (mathematics)","score":0.5254999995231628},{"id":"https://openalex.org/keywords/stability","display_name":"Stability (learning theory)","score":0.5253000259399414},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.5187000036239624},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5123000144958496},{"id":"https://openalex.org/keywords/embedding","display_name":"Embedding","score":0.5077000260353088},{"id":"https://openalex.org/keywords/diffusion","display_name":"Diffusion","score":0.4235999882221222},{"id":"https://openalex.org/keywords/sampling","display_name":"Sampling (signal processing)","score":0.421099990606308},{"id":"https://openalex.org/keywords/gaussian","display_name":"Gaussian","score":0.4016000032424927}],"concepts":[{"id":"https://openalex.org/C57691317","wikidata":"https://www.wikidata.org/wiki/Q1289248","display_name":"Scalar (mathematics)","level":2,"score":0.5254999995231628},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.5253000259399414},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.5187000036239624},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5123000144958496},{"id":"https://openalex.org/C41608201","wikidata":"https://www.wikidata.org/wiki/Q980509","display_name":"Embedding","level":2,"score":0.5077000260353088},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4668999910354614},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.44130000472068787},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.4235999882221222},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.421099990606308},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4106999933719635},{"id":"https://openalex.org/C163716315","wikidata":"https://www.wikidata.org/wiki/Q901177","display_name":"Gaussian","level":2,"score":0.4016000032424927},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.3935000002384186},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.385699987411499},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.37040001153945923},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.367000013589859},{"id":"https://openalex.org/C38349280","wikidata":"https://www.wikidata.org/wiki/Q1434290","display_name":"Flow (mathematics)","level":2,"score":0.3578000068664551},{"id":"https://openalex.org/C61326573","wikidata":"https://www.wikidata.org/wiki/Q1496376","display_name":"Gaussian process","level":3,"score":0.3440999984741211},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.32829999923706055},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3019999861717224},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.30090001225471497},{"id":"https://openalex.org/C79772020","wikidata":"https://www.wikidata.org/wiki/Q5159264","display_name":"Conditional independence","level":2,"score":0.28439998626708984},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.2637999951839447},{"id":"https://openalex.org/C160920958","wikidata":"https://www.wikidata.org/wiki/Q7662746","display_name":"Synthetic data","level":2,"score":0.25920000672340393},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.2565999925136566},{"id":"https://openalex.org/C138777275","wikidata":"https://www.wikidata.org/wiki/Q6884054","display_name":"Mixing (physics)","level":2,"score":0.2540999948978424},{"id":"https://openalex.org/C143724316","wikidata":"https://www.wikidata.org/wiki/Q312468","display_name":"Series (stratigraphy)","level":2,"score":0.2540000081062317}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1038/s43588-025-00946-y","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s43588-025-00946-y","pdf_url":null,"source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},{"id":"pmid:41566059","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41566059","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,"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":"Nature computational science","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1664433292","display_name":null,"funder_award_id":"839534","funder_id":"https://openalex.org/F4320306164","funder_display_name":"Simons Foundation"},{"id":"https://openalex.org/G4742915861","display_name":null,"funder_award_id":"OAC-2311632","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306164","display_name":"Simons Foundation","ror":"https://ror.org/01cmst727"},{"id":"https://openalex.org/F4320310009","display_name":"University of Florida","ror":"https://ror.org/02y3ad647"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":20,"referenced_works":["https://openalex.org/W2023271753","https://openalex.org/W2044834685","https://openalex.org/W2080635178","https://openalex.org/W2143981217","https://openalex.org/W2169678694","https://openalex.org/W2594183968","https://openalex.org/W2883583109","https://openalex.org/W3034806393","https://openalex.org/W3097145107","https://openalex.org/W3201249640","https://openalex.org/W4313703391","https://openalex.org/W4320342349","https://openalex.org/W4386804497","https://openalex.org/W4389696354","https://openalex.org/W4400410081","https://openalex.org/W4409536769","https://openalex.org/W4415797660","https://openalex.org/W4415800710","https://openalex.org/W7106577606","https://openalex.org/W7106818838"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3}],"updated_date":"2026-06-04T09:04:59.091469","created_date":"2026-01-22T00:00:00"}