cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2ck6dk
title: CCDC 2191278: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6fl
title: CCDC 2191279: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6gm
title: CCDC 2191280: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6hn
title: CCDC 2191281: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6jp
title: CCDC 2191282: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6kq
title: CCDC 2191283: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6lr
title: CCDC 2191284: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6ms
title: CCDC 2191285: Experimental Crystal Structure Determination

description: Related Article: Takuma Wada, Hideki Sugimoto, Yuma Morimoto, Shinobu Itoh|2022|Polyhedron|227|116150|doi:10.1016/j.poly.2022.116150
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6v0
title: CCDC 2191292: Experimental Crystal Structure Determination

description: Related Article: Chong-An Chen, Guo-Yu Yang|2022|Molecules|27|5279|doi:10.3390/molecules27165279
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6w1
title: CCDC 2191293: Experimental Crystal Structure Determination

description: Related Article: Chong-An Chen, Guo-Yu Yang|2022|Molecules|27|5279|doi:10.3390/molecules27165279
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6y3
title: CCDC 2191295: Experimental Crystal Structure Determination

description: Related Article: Ying Huang, Wen-Da Li, Yu-Xin Wei, Li Wang, Wen-Kui Dong|2023|J.Mol.Struct.|1272|134194|doi:10.1016/j.molstruc.2022.134194
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck6z4
title: CCDC 2191296: Experimental Crystal Structure Determination

description: Related Article: Ying Huang, Wen-Da Li, Yu-Xin Wei, Li Wang, Wen-Kui Dong|2023|J.Mol.Struct.|1272|134194|doi:10.1016/j.molstruc.2022.134194
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck76d
title: CCDC 2191303: Experimental Crystal Structure Determination

description: Related Article: Toren Hynes, Jason D. Masuda, Saurabh S. Chitnis|2022|ChemPlusChem|87|e202200244|doi:10.1002/cplu.202200244
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck77f
title: CCDC 2191304: Experimental Crystal Structure Determination

description: Related Article: Li-Ping Wu, Yu-Guang Li, Jun-Jie Hu, He-Rui Wen, Zi-Hao Zhu, Sui-Jun Liu|2023|Inorg.Chim.Acta|548|121394|doi:10.1016/j.ica.2023.121394
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck8t1
title: CCDC 2191353: Experimental Crystal Structure Determination

description: Related Article:  Y. Kessentini, A. Ben Ahmed, S.S. Al-Juaid, Z. Elaoud|2022|J.Solid State Chem.|313|123286|doi:10.1016/j.jssc.2022.123286
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck8v2
title: CCDC 2191354: Experimental Crystal Structure Determination

description: Related Article:  Y. Kessentini, A. Ben Ahmed, S.S. Al-Juaid, Z. Elaoud|2022|J.Solid State Chem.|313|123286|doi:10.1016/j.jssc.2022.123286
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck8w3
title: CCDC 2191355: Experimental Crystal Structure Determination

description: Related Article:  Y. Kessentini, A. Ben Ahmed, S.S. Al-Juaid, Z. Elaoud|2022|J.Solid State Chem.|313|123286|doi:10.1016/j.jssc.2022.123286
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2ck8x4
title: CSD 2191356: Experimental Crystal Structure Determination

description: Related Article: Tobias Giftthaler, Philipp Strobel, Volker Weiler, Arthur Haffner, Andreas Neuer, Jennifer Steinadler, Thomas Bräuniger, Simon D. Kloß, Stefan Rudel, Peter J. Schmidt, Wolfgang Schnick|2024|Adv. Opt. Mater.|12|2302343|doi:10.1002/adom.202302343
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b94g8
title: CCDC 2153739: Experimental Crystal Structure Determination

description: Related Article: Qi Song, Sui-Qun Yang, Xiao-Ming Li, Xue-Yi Hu, Xin Li, Bin-Gui Wang|2022|Marine Drugs|20|529|doi:10.3390/md20080529
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck95f
title: CCDC 2191364: Experimental Crystal Structure Determination

description: Related Article: Christian Klein‐Heßling, Karlheinz Sünkel|2022|Chem. Sel.|7|e202202838|doi:10.1002/slct.202202838
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck96g
title: CCDC 2191365: Experimental Crystal Structure Determination

description: Related Article: Christian Klein‐Heßling, Karlheinz Sünkel|2022|Chem. Sel.|7|e202202838|doi:10.1002/slct.202202838
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck97h
title: CCDC 2191366: Experimental Crystal Structure Determination

description: Related Article: Christian Klein‐Heßling, Karlheinz Sünkel|2022|Chem. Sel.|7|e202202838|doi:10.1002/slct.202202838
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck98j
title: CCDC 2191367: Experimental Crystal Structure Determination

description: Related Article: Christian Klein‐Heßling, Karlheinz Sünkel|2022|Chem. Sel.|7|e202202838|doi:10.1002/slct.202202838
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck9kt
title: CCDC 2191376: Experimental Crystal Structure Determination

description: Related Article: Ivan Brito|2022|CSD Communication|||
description: Related Article: David Moreno da Costa, Marco A. Henriquez, Diego Gonzalez-Torres, César Zuñiga-Loyola, Iván Brito, Iván González, Alondra Villegas-Menares, Desmond MacLeod-Carey, Cesar Morales-Verdejo, Alan R. Cabrera|2023|Inorg.Chim.Acta|545|121249|doi:10.1016/j.ica.2022.121249
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.zvhg9k
title: Occurrence Download

description: A dataset containing 238334 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Zootoca vivipara",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Geometry POLYGON ((-26.542322 25.637500, 53.987701 25.637500, 53.987701 73.184014, -26.542322 73.184014, -26.542322 25.637500))",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Observation, Material sample)"
 ]
}

 The dataset includes 238334 records from 916 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000150-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cc8x6b
title: Occurrence Download

description: A dataset containing 4601 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Erebia embla Thunberg, 1791",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 4601 records from 46 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0073568-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r6cb6v
title: Occurrence Download

description: A dataset containing 5340 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Acanthochromis polyacanthus (Bleeker, 1855)"
 ]
}

 The dataset includes 5340 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0129031-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9qxup3
title: Occurrence Download

description: A dataset containing 2132952 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Madagascar"
 ]
}

 The dataset includes 2132952 records from 1718 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0073569-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15206983
title: Beyond Reference Similarity: Why Current Metrics Fail to Capture Dialectical Reasoning in LLMs

description: This study examines the challenges of evaluating dialectical reasoning in Large Language Models (LLMs) through the development and assessment of AERIS (Adaptive Emergent Relational Intelligence System), a minimalist framework designed to enhance emergent reasoning capabilities. Dialectical reasoning, which involves exploring conceptual tensions and synthesizing opposing perspectives, is crucial for applications requiring nuanced understanding, yet current evaluation paradigms struggle to assess it. Evaluations on established benchmarks, including MMLU, TruthfulQA, and BIG-Bench-Hard (BBH), using standard metrics (BLEU, METEOR, ROUGE-L, BLEURT, COMET, BERTScore), consistently undervalued AERIS’s nuanced, explanatory responses, favoring instead short, reference-aligned answers. This inadequacy reflects a broader limitation in current evaluation paradigms, which prioritize lexical and semantic similarity over the richness of dialectical exploration. Building on insights from the author’s earlier work (Dulin, 2025), which anticipated this mismatch and explored alternative evaluation approaches, the findings confirm that standard metrics and benchmarks like MMLU and BBH appear ill-suited for assessing emergent cognition. The study highlights the need for new evaluation paradigms that capture the quality of reasoning processes, particularly as LLMs evolve toward advanced reasoning and metacognitive capabilities, offering insights into the future of LLM assessment.
DOI: 10.5281/zenodo.15206984
title: Beyond Reference Similarity: Why Current Metrics Fail to Capture Dialectical Reasoning in LLMs

description: This study examines the challenges of evaluating dialectical reasoning in Large Language Models (LLMs) through the development and assessment of AERIS (Adaptive Emergent Relational Intelligence System), a minimalist framework designed to enhance emergent reasoning capabilities. Dialectical reasoning, which involves exploring conceptual tensions and synthesizing opposing perspectives, is crucial for applications requiring nuanced understanding, yet current evaluation paradigms struggle to assess it. Evaluations on established benchmarks, including MMLU, TruthfulQA, and BIG-Bench-Hard (BBH), using standard metrics (BLEU, METEOR, ROUGE-L, BLEURT, COMET, BERTScore), consistently undervalued AERIS’s nuanced, explanatory responses, favoring instead short, reference-aligned answers. This inadequacy reflects a broader limitation in current evaluation paradigms, which prioritize lexical and semantic similarity over the richness of dialectical exploration. Building on insights from the author’s earlier work (Dulin, 2025), which anticipated this mismatch and explored alternative evaluation approaches, the findings confirm that standard metrics and benchmarks like MMLU and BBH appear ill-suited for assessing emergent cognition. The study highlights the need for new evaluation paradigms that capture the quality of reasoning processes, particularly as LLMs evolve toward advanced reasoning and metacognitive capabilities, offering insights into the future of LLM assessment.
DOI: 10.15468/dl.u3h2zd
title: Occurrence Download

description: A dataset containing 1705 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Country is one of (Portugal, Spain)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Vicia dasycarpa Ten.",
 "Year 1948-2025"
 ]
}

 The dataset includes 1705 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020984-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15207208
title: CNF Encoded Isomorphic and Optimized Miters from Hardware Model Checking Competition 2024 Models

description: These are isomorphic and optimized miters for 318 HWMCC'24 AIGER benchmarks.  There is one excessive benchmark 'Problem17.aig' which we omitted of original size of 2.3 GB (AIGER file size in bytes) as all others are at most16 MB in file size.

We first normalized the original sequential benchmarks (removed constraints, forced reset zero and turned the bad state constraint into an output).  Then we optimized the resulting AIG with combinational synthesis with ABC using the dc2 script. Then we produced combinational miters between two copies of the original AIGER circuit, and between the original and its optimized variant.  Finally we encoded these miters into CNF using an optimized XOR and ITE encoding with 'aigmiter' and zipped them with 'xz'.

This produced 3 identical isomorphic and optimized miter CNFs which we still keep

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p018.cnf.xz

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p139.cnf.xz

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p160.cnf.xz

while there were no identical isomorphic nor optimized miter AIGs.
DOI: 10.5281/zenodo.15207209
title: CNF Encoded Isomorphic and Optimized Miters from Hardware Model Checking Competition 2024 Models

description: These are isomorphic and optimized miters for 318 HWMCC'24 AIGER benchmarks.  There is one excessive benchmark 'Problem17.aig' which we omitted of original size of 2.3 GB (AIGER file size in bytes) as all others are at most16 MB in file size.

We first normalized the original sequential benchmarks (removed constraints, forced reset zero and turned the bad state constraint into an output).  Then we optimized the resulting AIG with combinational synthesis with ABC using the dc2 script. Then we produced combinational miters between two copies of the original AIGER circuit, and between the original and its optimized variant.  Finally we encoded these miters into CNF using an optimized XOR and ITE encoding with 'aigmiter' and zipped them with 'xz'.

This produced 3 identical isomorphic and optimized miter CNFs which we still keep

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p018.cnf.xz

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p139.cnf.xz

  - 9aa3105732c2485f4a08d7b4dc496802  cnf/iso/a16-p160.cnf.xz

while there were no identical isomorphic nor optimized miter AIGs.
DOI: 10.5281/zenodo.15207249
title: Datos de explotación del cuestionario "Internet, social media and education"

description: Se trata de un elenco de gráficos con el tratamiento informático mediante SPSS de los datos obtenidos del Cuestionario Internet, social media and education, recogidos por encuesta en 2013 con una muestra de 1031 adolescentes españoles.