cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccxcjsk
title: CCDC 845239: Experimental Crystal Structure Determination

description: Related Article: M.Vafaee, E.Najafi, M.M.Amini, S.W.Ng|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1246|doi:10.1107/S1600536811032296
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/ccq6t0q
title: CCDC 661943: Experimental Crystal Structure Determination

description: Related Article: J.Beck, G.Zink|2011|J.Chem.Cryst.|41|1185|doi:10.1007/s10870-011-0068-9
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/ccxdznx
title: CCDC 846630: Experimental Crystal Structure Determination

description: Related Article: R.S.Correa, A.E.Graminha, J.Ellena, A.A.Batista|2011|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|67|m304|doi:10.1107/S0108270111033051
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/ccxckd6
title: CCDC 845258: Experimental Crystal Structure Determination

description: Related Article: X.Lei, K.A.Obregon|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1272|doi:10.1107/S1600536811032326
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/ccxckf7
title: CCDC 845259: Experimental Crystal Structure Determination

description: Related Article: Shouping Cao, Zuoxiang Wang, Xiaofei Jin|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1273|doi:10.1107/S160053681103296X
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/ccxckkc
title: CCDC 845263: Experimental Crystal Structure Determination

description: Related Article: E.Najafi, M.M.Amini, S.W.Ng|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1280|doi:10.1107/S1600536811032338
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/ccxckng
title: CCDC 845266: Experimental Crystal Structure Determination

description: Related Article: E.Najafi, M.M.Amini, S.W.Ng|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1283|doi:10.1107/S160053681103337X
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/ccxckqj
title: CCDC 845268: Experimental Crystal Structure Determination

description: Related Article: S.Makhoba, A.Muller, R.Meijboom, B.Omondi|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1286|doi:10.1107/S1600536811033447
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/ccxckwp
title: CCDC 845273: Experimental Crystal Structure Determination

description: Related Article: S.Dehghanpour, A.Mahmoudi, M.Khalaj, S.Abbasi, F.Mojahed|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1296|doi:10.1107/S1600536811032053
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/ccxchlb
title: CCDC 845202: Experimental Crystal Structure Determination

description: Related Article: Jian Guo, Min Tang, Jing Chen, Cheng-Peng Li|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1180|doi:10.1107/S1600536811029886
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/ccxclf8
title: CCDC 845290: Experimental Crystal Structure Determination

description: Related Article: Jun Hong, Xiu-Ying Li, S.W.Ng|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1322|doi:10.1107/S1600536811034817
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/ccxjv5f
title: CCDC 850335: Experimental Crystal Structure Determination

description: Related Article: H.Chiririwa, R.Meijboom|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1335|doi:10.1107/S1600536811035380
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/ccxjv6g
title: CCDC 850336: Experimental Crystal Structure Determination

description: Related Article: H.Chiririwa, R.Meijboom|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1336|doi:10.1107/S1600536811035379
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/ccxjvkt
title: CCDC 850347: Experimental Crystal Structure Determination

description: Related Article: A.Muller, R.Meijboom|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1353|doi:10.1107/S1600536811035628
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/ccxjvmw
title: CCDC 850349: Experimental Crystal Structure Determination

description: Related Article: L.De Lorentiis, C.Graiff, G.Predieri|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1356|doi:10.1107/S1600536811035422
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/ccxjvt2
title: CCDC 850355: Experimental Crystal Structure Determination

description: Related Article: P.Stepnicka, J.Schulz, I.Cisarova|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1363|doi:10.1107/S160053681103621X
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/ccxjvx5
title: CCDC 850358: Experimental Crystal Structure Determination

description: Related Article: M.Karthikeyan, S.Karthikeyan, Bala.Manimaran|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1367|doi:10.1107/S160053681103546X
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/ccxjvy6
title: CCDC 850359: Experimental Crystal Structure Determination

description: Related Article: Hui Li, Hongshi Jiang, Hong Sun|2011|Acta Crystallogr.,Sect.E:Struct.Rep.Online|67|m1372|doi:10.1107/S1600536811035252
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.n44dzn
title: Occurrence Download

description: A dataset containing 81 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lithothamnion californicum"
 ]
}

 The dataset includes 81 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011450-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g3jdn8
title: Occurrence Download

description: A dataset containing 60 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rubus caudifolius",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 60 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011451-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pfv3c9
title: Occurrence Download

description: A dataset containing 5144 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Year is greater than or equal to 1900",
 "TaxonKey is Cyperus ligularis"
 ]
}

 The dataset includes 5144 records from 237 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011452-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.q4jaqj
title: Occurrence Download

description: A dataset containing 26 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "Country is Ghana",
 "TaxonKey is Khaya grandifoliola"
 ]
}

 The dataset includes 26 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011454-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gmps7v
title: Occurrence Download

description: A dataset containing 122 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "DatasetKey is iNaturalist Research-grade Observations",
 "TaxonKey is Lophius piscatorius"
 ]
}

 The dataset includes 122 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011458-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15479/at-ista-21116
title: Research Data for "Causes and consequences of sex-chromosome turnovers in Diptera"

description: Sex-chromosome systems are highly variable across animals, but how they transition from one to another is not well understood. Diptera have undergone multiple sex-chromosome turnovers and expansions while maintaining their general chromosomal content, which makes them an ideal clade to study such transitions. We analyzed more than 100 dipteran whole-genome assemblies and identified 4 new lineages that underwent sex-chromosome turnover (in addition to the 5 previously reported). We find that the majority of turnovers happened in the group Schizophora, which tend to have fewer genes on Muller element F (the chromosome homologous to the ancestral insect X chromosome) than lower dipterans, a factor previously hypothesized to facilitate turnover. Most derived X chromosomes have higher GC content than autosomes, consistent with a high prevalence of male achiasmy in Diptera. In addition, an excess of gene movement out of the X is detected for most of these new X chromosomes, and many of these moved genes have high testis expression in Drosophila, suggesting that out-of-X gene movement contributes to the long-term demasculinization of X chromosomes.
DOI: 10.6084/m9.figshare.30734843
title: SQuIRL Dataset

description: SQuIRL is a dataset of 133883 small molecules from the QM9 dataset (doi: 10.1038/sdata.2014.22), with the following properties:<br>SMILES stringsMolecular geometries (Cartesian) (Å)Functional groupsPrincipal moments of inertia (amu x Å<sup>2</sup>)Force constants (normal modes) (mDyne/Å (= 0.1 N/m))Harmonic IR intensities (km x mol<sup>−1</sup>)Harmonic vibrational wavenumbers (cm<sup>−1</sup>)Point group symmetryDipole moment (Debye)Dipole polarizability (a.u. (bohr<sup>3</sup>))Quadrupole moment (Debye x Å)Electronic energy (SCF) (Hartree)Zero-point vibrational energy (ZPVE) (Hartree)Thermal correction to energy (Hartree)Thermal correction to enthalpy (Hartree)Thermal correction to Gibbs free energy (Hartree)Sum of electronic and ZPVE (Hartree)Sum of electronic and thermal energies (Hartree)Sum of electronic and thermal enthalpies (Hartree)Sum of electronic and thermal free energies (Hartree)Heat capacity CV (thermal analysis) (cal x mol<sup>−1</sup> x K<sup>−1</sup>)Warnings / notesAtomic numbers<br>All calculated at ωB97X-D/aug-cc-pVTZ level of theory from original QM9 structures.The records are stored in an HDF5 format with the following structure:<br>data/├── molecule_ID/│ ├──▶ warnings [str]│ ├── electrostatics/│ │ ├── dipole_moment [shape=(3,), dtype=float64]│ │ ├── dipole_polarizability [shape=(3, 3), dtype=float64]│ │ ├── energy [dtype=float64]│ │ └── quadrupole_moment [shape=(3, 3), dtype=float64]│ ├── infrared/│ │ ├── force_constants [shape=(n_peaks,), dtype=float64]│ │ ├── magnitudes [shape=(n_peaks,), dtype=float64]│ │ ├── symmetries [shape=(n_peaks,), dtype=object]│ │ └── wavenumbers [shape=(n_peaks,), dtype=float64]│ ├── structure/│ │ ├── pos [shape=(n_atoms, 3), dtype=float64]│ │ ├── principal_moments [shape=(3,), dtype=float64]│ │ ├── z [shape=(n_atoms,), dtype=int64]│ │ ├──▶ smiles [str]│ │ └──▶ functional_groups [str]│ ├── thermochemistry/│ │ ├── electronic_energy_sum [dtype=float64]│ │ ├── electronic_enthalpy_sum [dtype=float64]│ │ ├── electronic_free_energy_sum [dtype=float64]│ │ ├── electronic_zero_point_sum [dtype=float64]│ │ ├── entropy [dtype=float64]│ │ ├── heat_capacity [dtype=float64]│ │ ├── thermal_energy_corr [dtype=float64]│ │ ├── thermal_enthalpy_corr [dtype=float64]│ │ ├── thermal_gibbs_corr [dtype=float64]│ │ ├── total_thermal_energy [dtype=float64]│ │ └── zero_point_corr [dtype=float64]│ │. .. .. .We provide an an example Jupyter Notebook that can be used to explore the dataset and understand how the records are accessed. This can be used after running the following commands in a terminal with an active python3 environment:<br><br><br>python3 pip install jupyterjupyter notebook SQuIRL_Explorer.ipynb<br>
DOI: 10.6084/m9.figshare.30734843.v1
title: SQuIRL Dataset

description: SQuIRL is a dataset of 133883 small molecules from the QM9 dataset (doi: 10.1038/sdata.2014.22), with the following properties:<br>SMILES stringsMolecular geometries (Cartesian) (Å)Functional groupsPrincipal moments of inertia (amu x Å<sup>2</sup>)Force constants (normal modes) (mDyne/Å (= 0.1 N/m))Harmonic IR intensities (km x mol<sup>−1</sup>)Harmonic vibrational wavenumbers (cm<sup>−1</sup>)Point group symmetryDipole moment (Debye)Dipole polarizability (a.u. (bohr<sup>3</sup>))Quadrupole moment (Debye x Å)Electronic energy (SCF) (Hartree)Zero-point vibrational energy (ZPVE) (Hartree)Thermal correction to energy (Hartree)Thermal correction to enthalpy (Hartree)Thermal correction to Gibbs free energy (Hartree)Sum of electronic and ZPVE (Hartree)Sum of electronic and thermal energies (Hartree)Sum of electronic and thermal enthalpies (Hartree)Sum of electronic and thermal free energies (Hartree)Heat capacity CV (thermal analysis) (cal x mol<sup>−1</sup> x K<sup>−1</sup>)Warnings / notesAtomic numbers<br>All calculated at ωB97X-D/aug-cc-pVTZ level of theory from original QM9 structures.The records are stored in an HDF5 format with the following structure:<br>data/├── molecule_ID/│ ├──▶ warnings [str]│ ├── electrostatics/│ │ ├── dipole_moment [shape=(3,), dtype=float64]│ │ ├── dipole_polarizability [shape=(3, 3), dtype=float64]│ │ ├── energy [dtype=float64]│ │ └── quadrupole_moment [shape=(3, 3), dtype=float64]│ ├── infrared/│ │ ├── force_constants [shape=(n_peaks,), dtype=float64]│ │ ├── magnitudes [shape=(n_peaks,), dtype=float64]│ │ ├── symmetries [shape=(n_peaks,), dtype=object]│ │ └── wavenumbers [shape=(n_peaks,), dtype=float64]│ ├── structure/│ │ ├── pos [shape=(n_atoms, 3), dtype=float64]│ │ ├── principal_moments [shape=(3,), dtype=float64]│ │ ├── z [shape=(n_atoms,), dtype=int64]│ │ ├──▶ smiles [str]│ │ └──▶ functional_groups [str]│ ├── thermochemistry/│ │ ├── electronic_energy_sum [dtype=float64]│ │ ├── electronic_enthalpy_sum [dtype=float64]│ │ ├── electronic_free_energy_sum [dtype=float64]│ │ ├── electronic_zero_point_sum [dtype=float64]│ │ ├── entropy [dtype=float64]│ │ ├── heat_capacity [dtype=float64]│ │ ├── thermal_energy_corr [dtype=float64]│ │ ├── thermal_enthalpy_corr [dtype=float64]│ │ ├── thermal_gibbs_corr [dtype=float64]│ │ ├── total_thermal_energy [dtype=float64]│ │ └── zero_point_corr [dtype=float64]│ │. .. .. .We provide an an example Jupyter Notebook that can be used to explore the dataset and understand how the records are accessed. This can be used after running the following commands in a terminal with an active python3 environment:<br><br><br>python3 pip install jupyterjupyter notebook SQuIRL_Explorer.ipynb<br>
DOI: 10.21227/gac0-fm35
title: "community detection"

description: "community detection"
DOI: 10.13140/rg.2.2.24423.51366
title: Resume and List of Publications January 22 (2026)
DOI: 10.48544/5e8776be-36a6-4649-9763-d1b918f485ef
title: O2LAB-project: bedrijfsleven structureel betrekken bij ondernemerschapsonderwijs
DOI: 10.5281/zenodo.18605234
title: Evaluation Dataset with Code

description: This project evaluates annotator outputs against a curated gold standard and produces the evaluation tables used in the supplementary materials of our publication.
DOI: 10.5281/zenodo.17422893
title: Evaluation Dataset with Code

description: This project evaluates annotator outputs against a curated gold standard and produces the evaluation tables used in the supplementary materials of our publication.
DOI: 10.15468/dl.ddnkyd
title: Occurrence Download

description: A dataset containing 132 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lachesis acrochorda"
 ]
}

 The dataset includes 132 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011463-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p2775h
title: Occurrence Download

description: A dataset containing 244 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Walsura pinnata",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 244 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011459-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.536sdu
title: Occurrence Download

description: A dataset containing 16448 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Year is greater than or equal to 1900",
 "TaxonKey is Cyperus longus"
 ]
}

 The dataset includes 16448 records from 612 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011460-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vn9d99
title: Occurrence Download

description: A dataset containing 1138 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Trimeresurus albolabris Gray, 1842, Trimesurus albolabris Gray)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1138 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0025196-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.