cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.g6nb3x
title: Occurrence Download

description: A dataset containing 3538 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Colección de Crustáceos Marinos (CRUST-IEOCD)"
 ]
}

 The dataset includes 3538 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004641-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qn4bh9
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Amphibians and reptiles in North Sweden: distribution, habitat affinities, and abundance (Classes: Amphibia and Reptilia)"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004640-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s52pab
title: Occurrence Download

description: A dataset containing 3548 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen, Occurrence evidence)",
 "Continent is one of (North America, South America)",
 "TaxonKey is Ischnura denticollis"
 ]
}

 The dataset includes 3548 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004638-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17103130
title: Supporting data/code for "Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds"

description: This repository contains the datasets and analysis scripts used in our machine-learning (ML) based quantum chemistry study. The data and code are provided to ensure full reproducibility of the results reported in the associated manuscript.

Dataset:



Training datasets: Includes training data for all molecules studied, stored in a structured and compact HDF5 format. 

Testdata: Contains the complete test dataset used for evaluating the ML models.


Scripts/Code:



RMSE analysis: Compute and analyze the root mean square error (RMSE) values for energies, dipoles, forces, and other properties.

Learning curves:  Scripts and data for plotting the learning curves along training set sizes for some selected molecules.

HOMO-LUMO Gap: Scripts and data for computing and plotting the HOMO-LUMO gaps.

Force correction analysis: Scripts and data to compute and plot the force errors before and after correction.

AIMD analysis: Scripts and data for analyzing ab initio molecular dynamics (AIMD) trajectories.

Cost: Scripts and data for plotting both the training cost and AIMD cost.
DOI: 10.5281/zenodo.17103131
title: Supporting data/code for "Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds"

description: This repository contains the datasets and analysis scripts used in our machine-learning (ML) based quantum chemistry study. The data and code are provided to ensure full reproducibility of the results reported in the associated manuscript.

Dataset:



Training datasets: Includes training data for all molecules studied, stored in a structured and compact HDF5 format. 

Testdata: Contains the complete test dataset used for evaluating the ML models.


Scripts/Code:



RMSE analysis: Compute and analyze the root mean square error (RMSE) values for energies, dipoles, forces, and other properties.

Learning curves:  Scripts and data for plotting the learning curves along training set sizes for some selected molecules.

HOMO-LUMO Gap: Scripts and data for computing and plotting the HOMO-LUMO gaps.

Force correction analysis: Scripts and data to compute and plot the force errors before and after correction.

AIMD analysis: Scripts and data for analyzing ab initio molecular dynamics (AIMD) trajectories.

Cost: Scripts and data for plotting both the training cost and AIMD cost.
DOI: 10.15468/dl.3zmtew
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Hemimysis anomala",
 "Country is Ukraine",
 "HasCoordinate is true"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004642-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5066/p934l7pn
title: Station information, seabed imagery, and CTD instrument data collected on Stellwagen Bank in January, 2016, U.S. Geological Survey Field Activity 2016-004-FA

description:  This field activity is part of the effort to map geologic substrates of the Stellwagen Bank National Marine Sanctuary region off Boston, Massachusetts. The overall goal is to develop high-resolution (1:25,000) interpretive maps, based on multibeam sonar data and seabed sampling, showing surficial geology and seabed sediment dynamics. This cruise was conducted in collaboration with the Stellwagen Bank National Marine Sanctuary, and the data collected will aid research on the ecology of fish and invertebrate species that inhabit the region. The Sanctuary's research vessel, R/V Auk, visited 19 locations on Stellwagen Bank at which a customized Van Veen grab sampler (SEABOSS) equipped with a video camera and a CTD was deployed in drift mode to collect sediment for grain-size analysis, video imagery of the seabed, and measurements of water column properties.
DOI: 10.15468/dl.8ghcky
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is A new species of Anadia (Reptilia, Squamata) from the Venezuelan ' Lost World', northern South America"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004643-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aggvnp
title: Occurrence Download

description: A dataset containing 60672 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Actinobacteria"
 ]
}

 The dataset includes 60672 records from 800 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004580-250914085247600/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.cc2m1cdg
title: CCDC 2414385: Experimental Crystal Structure Determination

description: Related Article: Bahare Ebrahimi, Behrouz Notash|2025|CrystEngComm|27|5889|doi:10.1039/d5ce00648a
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.cc2m1cgj
title: CCDC 2414387: Experimental Crystal Structure Determination

description: Related Article: Bahare Ebrahimi, Behrouz Notash|2025|CrystEngComm|27|5889|doi:10.1039/d5ce00648a
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.cc2ksjyv
title: CCDC 2377078: Experimental Crystal Structure Determination

description: Related Article: Andrew W. Heard, Luca Pesce, Peter T. Gierth, Simone Adorinni, Tanya K. Ronson, Barbara Rossi, John D. Thoburn, Tomas Deingruber, Martin Welch, David R. Spring, Silvia Marchesan, Giovanni M. Pavan, Jonathan R. Nitschke|2025|J.Am.Chem.Soc.|147|30842|doi:10.1021/jacs.5c07271
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.cc2nw72w
title: CCDC 2469028: Experimental Crystal Structure Determination

description: Related Article: Jian-Di Lin, Jin-Yun Wang, Jian-Gang Xu, Fa-Kun Zheng|2025|Inorg.Chem.Commun.|181|115336|doi:10.1016/j.inoche.2025.115336
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.cc2h9ms7
title: CCDC 2303169: Experimental Crystal Structure Determination

description: Related Article: Russell M. Main, Romy Ettlinger, Tia K. Tajnšek, Deborah A. Brako-Amoafo, Maximillian G. Stanzione, Morven J. Duncan, Philip Ettlinger, Gaynor B. Lawrence, Mark R. Warren, Christopher J. Heard, Russell E. Morris|2025|J.Am.Chem.Soc.|147|31260|doi:10.1021/jacs.5c10395
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.cc2h9mt8
title: CCDC 2303170: Experimental Crystal Structure Determination

description: Related Article: Russell M. Main, Romy Ettlinger, Tia K. Tajnšek, Deborah A. Brako-Amoafo, Maximillian G. Stanzione, Morven J. Duncan, Philip Ettlinger, Gaynor B. Lawrence, Mark R. Warren, Christopher J. Heard, Russell E. Morris|2025|J.Am.Chem.Soc.|147|31260|doi:10.1021/jacs.5c10395
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.uxr3vz
title: Occurrence Download

description: A dataset containing 170644 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-69.91462 -4.41589,-69.18854 -2.48328,-69.23694 -0.49945,-68.51087 1.24304,-67.68798 0.46865,-65.89699 0.85586,-67.68798 3.8541,-72.96414 3.90239,-76.88495 2.40415,-77.80465 0.56545,-76.49771 0.17822,-73.44819 -2.62835,-70.6891 -2.67671,-71.02793 -3.78824,-69.91462 -4.41589))",
 "HasGeospatialIssue is false",
 "TaxonKey is Arthropoda"
 ]
}

 The dataset includes 170644 records from 411 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004604-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4a28up
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Katamysis warpachowskyi",
 "Country is Austria",
 "HasCoordinate is true"
 ]
}

 The dataset includes 16 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004646-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9zzqhu
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Katamysis warpachowskyi",
 "Country is Croatia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004647-250914085247600/datasets/export for details.
DOI: 10.15468/dl.udbwtt
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Katamysis warpachowskyi",
 "Country is Moldova, Republic of",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004648-250914085247600/datasets/export for details.
DOI: 10.15468/dl.hzf3qp
title: Occurrence Download

description: A dataset containing 195912 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 (Zenaida macroura)",
 "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 195912 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004598-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8zxyjj
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rhodothermia",
 "HasCoordinate is true",
 "Country is one of (Bulgaria)",
 "HasGeospatialIssue is false",
 "Year is greater than 2009"
 ]
}

 The dataset includes 17 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215662-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.suap6p
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "TaxonKey is Sorex roboratus Hollister, 1913"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012861-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gwbya6
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Opitutae",
 "HasCoordinate is true",
 "Country is one of (Bulgaria)",
 "HasGeospatialIssue is false",
 "Year is greater than 2009"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215669-210914110416597/datasets/export for details.
DOI: 10.15468/dl.6h363w
title: Occurrence Download

description: A dataset containing 14136 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Linepithema humile (Mayr, 1868)"
 ]
}

 The dataset includes 14136 records from 117 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002832-230828120925497/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8ec4hp
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Monocentris reedi Schultz, 1956"
 ]
}

 The dataset includes 27 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0061608-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8a2kdu
title: Occurrence Download

description: A dataset containing 1471 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Tenagodus Guettard, 1770"
 ]
}

 The dataset includes 1471 records from 72 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015892-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vnpqbz
title: Occurrence Download

description: A dataset containing 6821 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Arctostaphylos glandulosa Eastw."
 ]
}

 The dataset includes 6821 records from 80 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215674-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y5x58b
title: Occurrence Download

description: A dataset containing 259 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.42_1",
 "TaxonKey is Pseudacris maculata (Agassiz, 1850)"
 ]
}

 The dataset includes 259 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215666-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rsfan3
title: Occurrence Download

description: A dataset containing 4024 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Opuntia tomentosa Salm-Dyck"
 ]
}

 The dataset includes 4024 records from 108 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015905-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gqq7kq
title: Occurrence Download

description: A dataset containing 7150 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Specimen",
 "BasisOfRecord is Human Observation"
 ]
 },
 "CoordinateUncertaintyInMeters 0.0-9939.0",
 "Geometry POLYGON((-114.87305 8.01436,-93.51562 -34.38198,-29.35547 -35.82004,-21.44531 -11.95604,-56.86523 18.26978,-70.48828 45.7359,-124.10156 45.11908,-114.87305 8.01436))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Bursera Jacq. ex L.",
 "Year 2001-2022"
 ]
}

 The dataset includes 7150 records from 66 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215675-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7yh8ae
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "TaxonKey is Sorex tundrensis Merriam, 1900"
 ]
}

 The dataset includes 10 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012868-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kbexg7
title: Occurrence Download

description: A dataset containing 2403 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "Country is Benin",
 "TaxonKey is Pseudocedrela kotschyi (Schweinf.) Harms"
 ]
}

 The dataset includes 2403 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0213065-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9uetfu
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Trisetum ligulatum Finot & Zuloaga"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022868-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5m9mw2
title: Occurrence Download

description: A dataset containing 73154 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leucopogon R.Br."
 ]
}

 The dataset includes 73154 records from 145 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215689-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.txwbug
title: Occurrence Download

description: A dataset listing the 4916 species recorded in GBIF matching the query:
{
 "and" : [
 "PublishingOrg is cdef28b1-db4e-4c58-aa71-3c5238c2d0b5",
 "TaxonKey is Plantae"
 ]
}

 The dataset's 4916 records were derived from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0037550-230810091245214/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gka6nf
title: Occurrence Download

description: A dataset containing 529 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is Philippines",
 "TaxonKey is Geokichla cinerea (Bourns & Worcester, 1894)",
 "Year 1990-2020"
 ]
}

 The dataset includes 529 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0215687-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4b6vrc
title: Occurrence Download

description: A dataset containing 6809 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Spheniscus mendiculus Sundevall, 1871"
 ]
}

 The dataset includes 6809 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015896-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.