cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.24435/materialscloud:gh-yf
title: Determining the optimal structural resolution of proteins through an information-theoretic analysis of their conformational ensemble

description: The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulations provide maximal detail, much of this information is redundant to understand the relevant large-scale motions and conformational states. Here, we introduce an unsupervised, information-theoretic framework that determines the minimal number of atoms required to retain a maximally informative description of the configurational space sampled by a protein. This framework quantifies the informativeness of coarse-grained representations obtained by systematically decimating atomic degrees of freedom and evaluating the resulting clustering of sampled conformations. Application to molecular dynamics trajectories of dynamically  diverse proteins shows that the optimal number of retained atoms scales linearly with system size, averaging about four heavy atoms per residue--remarkably consistent with the resolution of well-established coarse-grained models, such as MARTINI and SIRAH. Furthermore, the analysis shows that the optimal retained atoms number depends not only on molecular size but also on the extent of conformational exploration, decreasing for systems dominated by collective motions. The proposed method establishes a general criterion to identify the minimal structural detail that preserves the essential configurational information, thereby offering a new viewpoint on the structure-dynamics-function relationship in proteins and guiding the construction of parsimonious yet informative multiscale models.
DOI: 10.24435/materialscloud:sr-9q
title: Determining the optimal structural resolution of proteins through an information-theoretic analysis of their conformational ensemble

description: The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulations provide maximal detail, much of this information is redundant to understand the relevant large-scale motions and conformational states. Here, we introduce an unsupervised, information-theoretic framework that determines the minimal number of atoms required to retain a maximally informative description of the configurational space sampled by a protein. This framework quantifies the informativeness of coarse-grained representations obtained by systematically decimating atomic degrees of freedom and evaluating the resulting clustering of sampled conformations. Application to molecular dynamics trajectories of dynamically  diverse proteins shows that the optimal number of retained atoms scales linearly with system size, averaging about four heavy atoms per residue--remarkably consistent with the resolution of well-established coarse-grained models, such as MARTINI and SIRAH. Furthermore, the analysis shows that the optimal retained atoms number depends not only on molecular size but also on the extent of conformational exploration, decreasing for systems dominated by collective motions. The proposed method establishes a general criterion to identify the minimal structural detail that preserves the essential configurational information, thereby offering a new viewpoint on the structure-dynamics-function relationship in proteins and guiding the construction of parsimonious yet informative multiscale models.
DOI: 10.15468/dl.sbaxyr
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is prieskum obojživelníkov a plazov, Tatranská Lomnica, lyžiarske stredisko 2025",
 "EventDate is 2025-11-19,2025-12-19"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060503-251120083545085/datasets/export for details.
DOI: 10.25824/redu/7ifo23
title: Acrilamida em snacks de batata-doce: ocorrência, influência do processamento e mitigação

description: A acrilamida é um contaminante carcinogênico, genotóxico e neurotóxico. Sua formação ocorre principalmente em alimentos ricos em carboidratos submetidos a processamentos térmicos, como é o caso de snacks de batata e outros vegetais, configurando uma preocupação relevante para a saúde pública. Considerando a crescente expansão do mercado de snacks vegetais, frequentemente associados a maior saudabilidade, e a escassez de informações no Brasil acerca da presença de acrilamida nesses produtos, este estudo teve como objetivos centrais determinar a ocorrência de acrilamida em snacks vegetais alternativos à batata, especialmente os de batata-doce, avaliar a influência do processamento e averiguar a eficiência de pré-tratamentos para a mitigação deste contaminante nesses produtos alimentícios.
DOI: 10.6084/m9.figshare.30519122
title: Physics

description: This dataset presents.
DOI: 10.6084/m9.figshare.30519122.v1
title: Physics Laboratory Equipment Image Dataset Covering 27 Instrument Categories

description: This dataset presents <b>3,590 real-world images</b> of physics laboratory apparatus captured at United International University, Dhaka, using four different camera devices. It covers <b>27 equipment classes with 7,024 high-quality annotations</b>, labeled using both bounding-box and polygon formats for geometric precision. Designed for object detection research, the dataset supports training and benchmarking of deep learning models such as <b>YOLOv8 and YOLOv11</b>, which achieved <b>mAP@50 scores of 84.4% and 84.5%</b>, respectively. Beyond research, it enables applications in laboratory safety, automated inventory management, and educational feedback systems, serving as the first open dataset dedicated to physics laboratory equipment detection.
DOI: 10.6084/m9.figshare.30519122.v2
title: Physics

description: This dataset presents.
DOI: 10.15468/dl.c5crrd
title: Occurrence Download

description: A dataset containing 30 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"equals","key":"GADM_LEVEL_0_GID","value":"ARG","matchCase":false},{"type":"equals","key":"GADM_LEVEL_1_GID","value":"ARG.21_1","matchCase":false},{"type":"equals","key":"GADM_LEVEL_2_GID","value":"ARG.21.17_1","matchCase":false},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 30 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060504-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ymhwyr
title: Occurrence Download

description: A dataset containing 495066 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Megaptera novaeangliae"
 ]
}

 The dataset includes 495066 records from 585 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0060449-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8qwfpm
title: Occurrence Download

description: A dataset containing 4297 species occurrences available in GBIF matching the query:
{
 "Geometry" : [
 "POLYGON((106.37416 29.35348,106.71584 29.35348,106.71584 29.70504,106.37416 29.70504,106.37416 29.35348))"
 ]
}

 The dataset includes 4297 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0170296-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cj5bz2
title: Occurrence Download

description: A dataset containing 1156 species occurrences available in GBIF matching the query:
{
 "or" : [
 "TaxonKey is Geochelone denticulata (Linnaeus, 1766)",
 "TaxonKey is Chelonoidis denticulatus (Linnaeus, 1766)",
 "TaxonKey is Chelonoidis denticulata Obst, 1985",
 "TaxonKey is Geochelone denticulata Linnaeus, 1766"
 ]
}

 The dataset includes 1156 records from 67 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021573-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.si3cr7
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eucalyptus tumida Brooker & Hopper",
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 12 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0044908-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.btpyxb
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Additions to the epiphytic macroalgae flora of Bahia and Brazil"
 ]
}

 The dataset includes 31 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0341369-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kgt0a5
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 {
 "or" : [
 "Country is Ethiopia",
 "Country is Tanzania, United Republic of",
 "Country is Eritrea",
 "Country is Somalia"
 ]
 },
 "Geometry POLYGON((-34.31687 -17.68434,78.23131 -17.68434,78.23131 27.31566,-34.31687 27.31566,-34.31687 -17.68434))",
 "HasCoordinate is true",
 "TaxonKey is Pennisetum setaceum (Forssk.) Chiov.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 34 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010314-200127171203522/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jrrxth
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is A new planthopper species in the genus Omolicna (Hemiptera: Auchenorrhyncha Derbidae) from the Reserva Privada el Silencio de Los Angeles Cloud Forest in Costa Rica"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0341377-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mdet0f
title: Occurrence Download

description: A dataset containing 53 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eucalyptus trivalva Blakely",
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 53 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0044904-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.menmta
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Netherlands",
 "TaxonKey is Priocnemis perturbator (Harris, 1780)",
 "Year is greater than or equal to 1928"
 ]
}

 The dataset includes 63 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053171-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.x7zvtr
title: Occurrence Download

description: A dataset containing 290 species occurrences available in GBIF matching the query:
{
 "or" : [
 "TaxonKey is Ferocactus gracilis subsp. gracilis",
 "TaxonKey is Ferocactus gracilis subsp. coloratus (H.E.Gates) N.P.Taylor",
 "TaxonKey is Ferocactus gracilis subsp. gatesii (G.E.Linds.) N.P.Taylor"
 ]
}

 The dataset includes 290 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0163583-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v3p5gj
title: Occurrence Download

description: A dataset containing 80 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rubus arvensis L.H.Bailey"
 ]
}

 The dataset includes 80 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0190640-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vfza3s
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Material sample",
 "BasisOfRecord is Literature Occurrence",
 "BasisOfRecord is Specimen",
 "BasisOfRecord is Living Specimen"
 ]
 },
 "Country is Mexico",
 "HasCoordinate is true",
 "TaxonKey is Citharexylum lycioides D.Don",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 63 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017264-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3g3ggb
title: Occurrence Download

description: A dataset containing 760791 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Colombia",
 "DatasetKey is EOD – eBird Observation Dataset",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "License is CC-BY 4.0",
 "OccurrenceStatus is Present",
 "PublishingOrg is e2e717bf-551a-4917-bdc9-4fa0f342c530",
 "StateProvince is Caldas",
 "Year 2017-2021"
 ]
}

 The dataset includes 760791 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0170420-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a5tgvy
title: Occurrence Download

description: A dataset containing 108 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hubbsina turneri de Buen, 1940"
 ]
}

 The dataset includes 108 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0190642-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uv6bhf
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is The genus Parilia Wood-Mason, in Wood-Mason & Alcock, 1891, with description of a new species and establishment of a new genus for P. tuberculata Sakai, 1961 (Crustacea, Brachyura, Leucosiidae)"
 ]
}

 The dataset includes 17 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0341333-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cjkkhh
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Euphorbia hunzikeri Subils"
 ]
}

 The dataset includes 8 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0205543-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kf52n2
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Phloeomys cumingi (Waterhouse, 1839)"
 ]
}

 The dataset includes 72 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0352587-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mnwkva
title: Occurrence Download

description: A dataset containing 48 species occurrences available in GBIF matching the query:
{
 "and" : [
 "ScientificName is Juniperus comitana Martinez",
 "DecimalLatitude is greater than or equal to -90",
 "DecimalLongitude is greater than or equal to -180"
 ]
}

 The dataset includes 48 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0025692-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kg4nez
title: Occurrence Download

description: A dataset containing 3818 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Inventarios de fauna y flora en los DRMIs Embalse Peñol - Guatapé y Cuenca Alta del Río Guatapé, Las Camelias y el área a declarar Cuenca de San Pedro"
 ]
}

 The dataset includes 3818 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001698-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gjewxe
title: Occurrence Download

description: A dataset containing 23469 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Alchemilla fissa Günther & Schummel, Alchemilla xanthochlora Rothm.)",
 "Geometry POLYGON((-9.36035 44.71551,-10.59082 42.81152,-11.82129 36.80928,-7.69043 36.17336,-3.38379 35.88905,3.12012 38.13456,9.18457 38.20366,11.7334 37.16032,12.78809 34.74161,17.09473 33.79741, 23.15918 34.23451,30.10254 32.62087,33.2666 32.99024,35.72754 35.03,33.00293 35.53223,28.69629 35.17381,28.34473 36.31513,25.7959 37.50973,24.91699 39.90974,28.78418 40.6473,30.71777 41.17865,36.87012 45.213,38.18848 46.98025,38.71582 47.7541,39.94629 47.93107,40.20996 49.61071,37.0459 50.34546,35.72754 50.40152,33.79395 52.26816,31.68457 51.94426,31.4209 53.27835,32.56348 53.43572,30.98145 54.77535,30.89355 55.52863,28.43262 56.02295,27.20215 57.65716,27.37793 58.30949,27.90527 59.17593,29.66309 59.88894,27.6416 60.58697,31.50879 62.75473,28.78418 69.83962,30.89355 70.28912,29.22363 71.55274,21.75293 71.30079,14.28223 70.14036,11.38184 67.47492,4.87793 63.66576,-5.53711 71.52491,-10.63477 71.69129,-21.5332 67.74276,-28.56445 65.36684,-24.3457 61.35461,-9.36035 44.71551))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "Year is less than or equal to 2021"
 ]
}

 The dataset includes 23469 records from 169 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0159893-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9nmkh4
title: Occurrence Download

description: A dataset containing 23 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Confluphyllia juncta Cairns & Zibrowius, 1997"
 ]
}

 The dataset includes 23 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0135306-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uujkqb
title: Occurrence Download

description: A dataset containing 53 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Grevillea anethifolia R.Br.",
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation"
 ]
 },
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 53 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0045094-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jdwz5j
title: Occurrence Download

description: A dataset containing 216852 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Salix alba L."
 ]
}

 The dataset includes 216852 records from 812 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0144456-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c8v6ms
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is The genus Sitothrips (Thysanoptera: Thripidae) with a new grass-living species from southern Iran"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0341359-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6au3z7
title: Occurrence Download

description: A dataset containing 137011 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Euphorbia amygdaloides L., Euphorbia dulcis L.)",
 "Geometry POLYGON((-9.36035 44.71551,-10.59082 42.81152,-11.82129 36.80928,-7.69043 36.17336,-3.38379 35.88905,3.12012 38.13456,9.18457 38.20366,11.7334 37.16032,12.78809 34.74161,17.09473 33.79741, 23.15918 34.23451,30.10254 32.62087,33.2666 32.99024,35.72754 35.03,33.00293 35.53223,28.69629 35.17381,28.34473 36.31513,25.7959 37.50973,24.91699 39.90974,28.78418 40.6473,30.71777 41.17865,36.87012 45.213,38.18848 46.98025,38.71582 47.7541,39.94629 47.93107,40.20996 49.61071,37.0459 50.34546,35.72754 50.40152,33.79395 52.26816,31.68457 51.94426,31.4209 53.27835,32.56348 53.43572,30.98145 54.77535,30.89355 55.52863,28.43262 56.02295,27.20215 57.65716,27.37793 58.30949,27.90527 59.17593,29.66309 59.88894,27.6416 60.58697,31.50879 62.75473,28.78418 69.83962,30.89355 70.28912,29.22363 71.55274,21.75293 71.30079,14.28223 70.14036,11.38184 67.47492,4.87793 63.66576,-5.53711 71.52491,-10.63477 71.69129,-21.5332 67.74276,-28.56445 65.36684,-24.3457 61.35461,-9.36035 44.71551))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "Year is less than or equal to 2021"
 ]
}

 The dataset includes 137011 records from 424 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0158661-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.