cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.4ymq7n
title: Occurrence Download

description: A dataset containing 160 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Lao People’s Democratic Republic",
 "Year is 2013",
 "InstitutionCode is iNaturalist"
 ]
}

 The dataset includes 160 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013506-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u4e8zm
title: Occurrence Download

description: A dataset containing 964 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rana pyrenaica"
 ]
}

 The dataset includes 964 records from 40 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013507-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.24435/materialscloud:d0-rp
title: Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework

description: Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, directly from compositions and geometries of atomic configurations. With the emergence of ML approaches to predict the "ingredients" of a QM calculation, such as the ground state charge density or the effective single-particle Hamiltonian, it has become possible to obtain multiple properties through analytical physics-based operations on these intermediate ML predictions. We present a framework to seamlessly integrate the prediction of an effective electronic Hamiltonian, for both molecular and condensed-phase systems, with PySCFAD, a differentiable QM workflow. This integration facilitates training models indirectly against functions of the Hamiltonian such as electronic energy levels, dipole moments, polarizability, etc. We then use this framework to explore various possible choices within the design space of hybrid ML/QM models, examining the influence of incorporating multiple targets on model performance and learning a reduced-basis ML Hamiltonian that can
reproduce targets computed from a much larger basis. Our benchmarks evaluate the accuracy and transferability of these hybrid models, compare them against predictions of atomic properties from their surrogate models, and provide indications to guide the design of the interface between the ML and QM components of the model. For our benchmarks we have used a subset of the QM7 and QM9 datasets as well as two extrapolative datasets for long chain polyalkenes/acenes and polyenoic acid series, along with a small graphene dataset.
DOI: 10.24435/materialscloud:mg-8f
title: Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework

description: Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, directly from compositions and geometries of atomic configurations. With the emergence of ML approaches to predict the "ingredients" of a QM calculation, such as the ground state charge density or the effective single-particle Hamiltonian, it has become possible to obtain multiple properties through analytical physics-based operations on these intermediate ML predictions. We present a framework to seamlessly integrate the prediction of an effective electronic Hamiltonian, for both molecular and condensed-phase systems, with PySCFAD, a differentiable QM workflow. This integration facilitates training models indirectly against functions of the Hamiltonian such as electronic energy levels, dipole moments, polarizability, etc. We then use this framework to explore various possible choices within the design space of hybrid ML/QM models, examining the influence of incorporating multiple targets on model performance and learning a reduced-basis ML Hamiltonian that can
reproduce targets computed from a much larger basis. Our benchmarks evaluate the accuracy and transferability of these hybrid models, compare them against predictions of atomic properties from their surrogate models, and provide indications to guide the design of the interface between the ML and QM components of the model. For our benchmarks we have used a subset of the QM7 and QM9 datasets as well as two extrapolative datasets for long chain polyalkenes/acenes and polyenoic acid series, along with a small graphene dataset.
DOI: 10.15468/dl.t994w7
title: Occurrence Download

description: A dataset containing 120158 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is VectorNet observations"
 ]
}

 The dataset includes 120158 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013492-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8dvf9b
title: Occurrence Download

description: A dataset containing 3623 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Continent is one of (North America, South America)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Anoda cristata",
 "Year 1000-2025"
 ]
}

 The dataset includes 3623 records from 193 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013508-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2lkylq
title: CCDC 2400534: Experimental Crystal Structure Determination

description: Related Article: Hui Luo, Yan Wang, Yu He, Li Li, Yinfeng Ma, Guohui Wang, Jinhui Yang|2025|Green Chemistry|27|13644|doi:10.1039/d5gc03300d
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.cc2nrb6z
title: CSD 2465281: Experimental Crystal Structure Determination

description: Related Article: Sofia Bautina, Sofia Vorobyeva, Zakhar Rudzis, Yuliya Rudneva, Vladimir Nadolinny, Pavel Plusnin, Taisiya Sukhikh, Angelina Zhurenok, Ekaterina Kozlova, Sergey Korenev|2025|New J.Chem.|49|18753|doi:10.1039/d5nj03210e
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: 10.15468/dl.hkwpnt
title: Occurrence Download

description: A dataset containing 131 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Lao People’s Democratic Republic",
 "Year is 2014",
 "InstitutionCode is iNaturalist"
 ]
}

 The dataset includes 131 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013509-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ms58d9
title: Occurrence Download

description: A dataset containing 1774 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Human Observation)",
 "Continent is one of (North America, South America)",
 "TaxonKey is Barbosella"
 ]
}

 The dataset includes 1774 records from 130 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013510-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc4gcdb
title: CCDC 132971: Experimental Crystal Structure Determination

description: Related Article: O.Legrand, J.M.Brunel, G.Buono|2000|Tetrahedron|56|595|doi:10.1016/S0040-4020(99)00966-7
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/cc4s3bb
title: CCDC 142331: Experimental Crystal Structure Determination

description: Related Article: H.Mayr, O.Kuhn, C.Schlierf, A.R.Ofial|2000|Tetrahedron|56|4219|doi:10.1016/S0040-4020(00)00347-1
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/cc4s3cc
title: CCDC 142332: Experimental Crystal Structure Determination

description: Related Article: H.Mayr, O.Kuhn, C.Schlierf, A.R.Ofial|2000|Tetrahedron|56|4219|doi:10.1016/S0040-4020(00)00347-1
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/cc4sw2v
title: CCDC 143067: Experimental Crystal Structure Determination

description: Related Article: J.-L.Toujas, L.Toupet, M.Vaultier|2000|Tetrahedron|56|2665|doi:10.1016/S0040-4020(00)00155-1
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/cc4vp0n
title: CCDC 144801: Experimental Crystal Structure Determination

description: Related Article: S.R.Hitchcock, G.P.Nora, C.Hedberg, D.M.Casper, L.S.Buchanan, M.D.Squire, D.X.West|2000|Tetrahedron|56|8799|doi:10.1016/S0040-4020(00)00837-1
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.qxvk52
title: Occurrence Download

description: A dataset containing 317 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Material sample)",
 "Country is Colombia",
 "TaxonKey is Cyanerpes cyaneus (Linnaeus, 1766)"
 ]
}

 The dataset includes 317 records from 34 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014347-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.59427v
title: Occurrence Download

description: A dataset containing 5479 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.12_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Metrosideros polymorpha Gaudich."
 ]
}

 The dataset includes 5479 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014352-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.30341782
title: <b>Supplement data for "Impact of the Warburg Effect on Nucleotide Homeostasis in Human Retinal Endothelial Cells and its Relevance to Proliferative Diabetic Retinopathy"</b>

description: Dataset Description: This dataset contains quantitative metabolite measurements from cultured human retinal endothelial cells exposed to different experimental conditions, including normoxia (Control), hyperglycemia (HG), hypoxia (Hyp), and combined hyperglycemia plus hypoxia (HG/Hyp). The dataset focuses on the purine and pyrimidine metabolic pathways and includes individual measurements for key metabolites such as ATP, AMP, GTP, IMP, ribose-5-phosphate, uridine, cytidine, and related nucleotide/nucleoside pools. Metabolite levels were measured in biological replicates (n = 4 per group), and statistical analysis was performed using Fisher’s t-test to assess pairwise differences between control and experimental conditions. The dataset reports group means, mean differences, t-statistics, degrees of freedom, significance thresholds, and individual p-values. Significant changes are flagged with standard significance notations (* p &lt; 0.05, ** p &lt; 0.01). This dataset can be used to: Explore metabolic reprogramming of nucleotide metabolism under diabetic and hypoxic stress. Support hypothesis generation related to angiogenesis and energy metabolism in retinal disease. File contents: Raw metabolite quantification values (mean per group). Statistical comparisons (Control vs. Hyp, Control vs. HG, Control vs. HG/Hyp). Significance indicators and p-values for each metabolite. File format: Excel spreadsheet (.xlsx).
DOI: 10.6084/m9.figshare.30341782.v1
title: <b>Supplement data for "Impact of the Warburg Effect on Nucleotide Homeostasis in Human Retinal Endothelial Cells and its Relevance to Proliferative Diabetic Retinopathy"</b>

description: Dataset Description: This dataset contains quantitative metabolite measurements from cultured human retinal endothelial cells exposed to different experimental conditions, including normoxia (Control), hyperglycemia (HG), hypoxia (Hyp), and combined hyperglycemia plus hypoxia (HG/Hyp). The dataset focuses on the purine and pyrimidine metabolic pathways and includes individual measurements for key metabolites such as ATP, AMP, GTP, IMP, ribose-5-phosphate, uridine, cytidine, and related nucleotide/nucleoside pools. Metabolite levels were measured in biological replicates (n = 4 per group), and statistical analysis was performed using Fisher’s t-test to assess pairwise differences between control and experimental conditions. The dataset reports group means, mean differences, t-statistics, degrees of freedom, significance thresholds, and individual p-values. Significant changes are flagged with standard significance notations (* p &lt; 0.05, ** p &lt; 0.01). This dataset can be used to: Explore metabolic reprogramming of nucleotide metabolism under diabetic and hypoxic stress. Support hypothesis generation related to angiogenesis and energy metabolism in retinal disease. File contents: Raw metabolite quantification values (mean per group). Statistical comparisons (Control vs. Hyp, Control vs. HG, Control vs. HG/Hyp). Significance indicators and p-values for each metabolite. File format: Excel spreadsheet (.xlsx).
DOI: 10.15468/dl.j5xdsq
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Solenogastres)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-90 -60,-60 -60,-60 -30,-90 -30,-90 -60))"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011893-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cw2gn9
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Solenogastres)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-60 -60,-30 -60,-30 -30,-60 -30,-60 -60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011892-251009101135966/datasets/export for details.
DOI: 10.15468/dl.d733ak
title: Occurrence Download

description: A dataset containing 728 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Opuntia ficus-indica",
 "Country is Australia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 728 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004719-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s7r4qq
title: Occurrence Download

description: A dataset containing 3580 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Characidium zebra"
 ]
}

 The dataset includes 3580 records from 104 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004720-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p8ju8y
title: Occurrence Download

description: A dataset containing 334 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Opuntia humifusa",
 "Country is Australia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 334 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004721-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e46tkt
title: Occurrence Download

description: A dataset containing 12431 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Succisa pratensis",
 "Geometry POLYGON((-8.00174339329464 54.1998526673513, 0.202120938926891 54.1998526673513, 0.202120938926891 61.2628565887411, -8.00174339329464 61.2628565887411, -8.00174339329464 54.1998526673513))",
 "CoordinateUncertaintyInMeters is 0,101",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 12431 records from 55 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004722-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zdqerp
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aschersoniodoxa pilosa"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004723-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gj9rgm
title: Occurrence Download

description: A dataset containing 185 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Characidium fasciadorsale"
 ]
}

 The dataset includes 185 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004724-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j5jsag
title: Occurrence Download

description: A dataset containing 143 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Opuntia leucotricha",
 "Country is Australia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 143 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004725-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n8gxjt
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is BOLD:ADO1582"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004726-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z8jg4k
title: Occurrence Download

description: A dataset containing 179 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asperuginoides axillaris"
 ]
}

 The dataset includes 179 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004727-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xhsu8g
title: Occurrence Download

description: A dataset containing 52809 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Calidris bairdii)",
 "Country is one of (Anguilla, Antigua and Barbuda, Argentina, Aruba, Bahamas, Barbados, Belize, Bolivia (Plurinational State of), Bonaire, Sint Eustatius and Saba, Bouvet Island, Brazil, Cayman Islands, Chile, Colombia, Costa Rica, Cuba, Curaçao, Dominica, Dominican Republic, Ecuador, El Salvador, Falkland Islands (Malvinas), French Guiana, Grenada, Guadeloupe, Guatemala, Guyana, Haiti, Honduras, Jamaica, Martinique, Mexico, Montserrat, Nicaragua, Panama, Paraguay, Peru, Puerto Rico, Saint Barthélemy, Saint Kitts and Nevis, Saint Lucia, Saint Martin (French part), Saint Vincent and the Grenadines, Sint Maarten (Dutch part), South Georgia and the South Sandwich Islands, Suriname, Trinidad and Tobago, Turks and Caicos Islands, Uruguay, Venezuela (Bolivarian Republic of), Virgin Islands (British), Virgin Islands (U.S.))"
 ]
}

 The dataset includes 52809 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004710-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2p5bsk
title: Occurrence Download

description: A dataset containing 279157 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Human Observation, Machine Observation, Occurrence evidence, Observation)",
 "TaxonKey is one of (Calidris bairdii)",
 "Country is one of (Bermuda, Canada, Greenland, Saint Pierre and Miquelon, United States of America)"
 ]
}

 The dataset includes 279157 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004709-250711103210423/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.