cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.c3qqp4
title: Occurrence Download

description: A dataset containing 30960 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)"
 ]
 }
 },
 "TaxonKey is Cerastium arvense L.",
 "Year is less than or equal to 2000",
 "Year is greater than or equal to 1970",
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "EstablishmentMeans is null"
 ]
 },
 {
 "or" : [
 "CoordinateUncertaintyInMeters is less than 1000",
 "CoordinateUncertaintyInMeters is null"
 ]
 }
 ]
}

 The dataset includes 30960 records from 278 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007479-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/12000238
title: RLHF Comparative Preference Dataset
DOI: 10.6084/m9.figshare.29189858
title: <b>OpenREACT-CHON-EFH</b> — <b><i>O</i></b><i>pen </i><b><i>RE</i></b><i>action Dataset of </i><b><i>A</i></b><i>tomic </i><b><i>C</i></b><i>onfigura</i><b><i>T</i></b><i>ions comprising </i><b><i>C</i></b><i>, </i><b><i>H</i></b><i>, </i><b><i>O</i></b><i>, </i><b><i>N</i></b><i> with </i><b><i>E</i></b><i>nergies, </i><b><i>F</i></b><i>orces, and </i><b><i>H</i></b><i>essians</i>

description: These datasets were used in the training and testing of Machine Learning Interatomic Potentials (MLIPs) as part of the work represented in the article titled Does Hessian Data Improve the Performance of Machine Learning Potentials?.<b>RTP Dataset (Reactant–Transition State–Product Dataset):</b>The RTP dataset forms the core training and evaluation set and consists of 35,087 molecular geometries sampled from 11,961 unique elementary reactions. For each reaction, three critical geometries are included: the optimized <b>reactant</b>, <b>transition state (TS)</b>, and <b>product</b>. Each geometry is labeled with its corresponding DFT-computed <b>potential energy</b>, <b>atomic forces</b>, and <b>Hessian matrix</b>, calculated at the wb97xd/6-31g(d) level of theory. This dataset represents stationary points (critical points) on the potential energy surface and serves as the foundation for training the MLIPs to reproduce energies, gradients, and curvatures.<b>IRC Dataset (Intrinsic Reaction Coordinate Dataset):</b>To assess the <b>extrapolation</b> performance of the trained MLIPs along continuous reaction pathways, a dataset of 34,248 geometries was compiled from <b>600 Intrinsic Reaction Coordinate (IRC) paths</b>, each corresponding to a distinct elementary reaction in the RTP dataset. These geometries were obtained by following the minimum energy path (MEP) from the transition state to both reactant and product wells using quantum chemistry calculations at the wb97xd/6-31g(d) level of theory. While these geometries are not explicitly used in training, they provide a rigorous benchmark for evaluating the ability of MLIPs to generalize beyond training data and accurately model transition state connectivity and reaction dynamics.<b>NMS Dataset (Normal Mode Sampling Dataset):</b>To evaluate MLIP robustness on <b>off-equilibrium, perturbed structures</b>, 62,527 geometries were generated via <b>Normal Mode Sampling (NMS)</b>. These structures are derived by displacing intermediate IRC geometries along their vibrational modes with random amplitudes, simulating thermal fluctuations and non-equilibrium distortions. The properties of these perturbed structures were calculated at the wb97xd/6-31g(d) level of theory. This dataset allows for testing the model's stability and accuracy in more realistic, noisy molecular environments as encountered in molecular dynamics simulations or under experimental conditions.
DOI: 10.6084/m9.figshare.29189858.v4
title: <b>OpenREACT-CHON-EFH</b> — <b><i>O</i></b><i>pen </i><b><i>RE</i></b><i>action Dataset of </i><b><i>A</i></b><i>tomic </i><b><i>C</i></b><i>onfigura</i><b><i>T</i></b><i>ions comprising </i><b><i>C</i></b><i>, </i><b><i>H</i></b><i>, </i><b><i>O</i></b><i>, </i><b><i>N</i></b><i> with </i><b><i>E</i></b><i>nergies, </i><b><i>F</i></b><i>orces, and </i><b><i>H</i></b><i>essians</i>

description: These datasets were used in the training and testing of Machine Learning Interatomic Potentials (MLIPs) as part of the work represented in the article titled Does Hessian Data Improve the Performance of Machine Learning Potentials?.<b>RTP Dataset (Reactant–Transition State–Product Dataset):</b>The RTP dataset forms the core training and evaluation set and consists of 35,087 molecular geometries sampled from 11,961 unique elementary reactions. For each reaction, three critical geometries are included: the optimized <b>reactant</b>, <b>transition state (TS)</b>, and <b>product</b>. Each geometry is labeled with its corresponding DFT-computed <b>potential energy</b>, <b>atomic forces</b>, and <b>Hessian matrix</b>, calculated at the wb97xd/6-31g(d) level of theory. This dataset represents stationary points (critical points) on the potential energy surface and serves as the foundation for training the MLIPs to reproduce energies, gradients, and curvatures.<b>IRC Dataset (Intrinsic Reaction Coordinate Dataset):</b>To assess the <b>extrapolation</b> performance of the trained MLIPs along continuous reaction pathways, a dataset of 34,248 geometries was compiled from <b>600 Intrinsic Reaction Coordinate (IRC) paths</b>, each corresponding to a distinct elementary reaction in the RTP dataset. These geometries were obtained by following the minimum energy path (MEP) from the transition state to both reactant and product wells using quantum chemistry calculations at the wb97xd/6-31g(d) level of theory. While these geometries are not explicitly used in training, they provide a rigorous benchmark for evaluating the ability of MLIPs to generalize beyond training data and accurately model transition state connectivity and reaction dynamics.<b>NMS Dataset (Normal Mode Sampling Dataset):</b>To evaluate MLIP robustness on <b>off-equilibrium, perturbed structures</b>, 62,527 geometries were generated via <b>Normal Mode Sampling (NMS)</b>. These structures are derived by displacing intermediate IRC geometries along their vibrational modes with random amplitudes, simulating thermal fluctuations and non-equilibrium distortions. The properties of these perturbed structures were calculated at the wb97xd/6-31g(d) level of theory. This dataset allows for testing the model's stability and accuracy in more realistic, noisy molecular environments as encountered in molecular dynamics simulations or under experimental conditions.
DOI: 10.15468/dl.mq82be
title: Occurrence Download

description: A dataset containing 220587 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Carex acutiformis",
 "Year 1957-2022"
 ]
}

 The dataset includes 220587 records from 927 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035952-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16791925
title: Multi-timescale Frequency–Phase Matching for High-Yield Nonlinear Photonics

description: Raw data for 'Multi-timescale Frequency–Phase Matching for High-Yield Nonlinear Photonics'
DOI: 10.5281/zenodo.16791926
title: Multi-timescale Frequency–Phase Matching for High-Yield Nonlinear Photonics

description: Raw data for 'Multi-timescale Frequency–Phase Matching for High-Yield Nonlinear Photonics'
DOI: 10.15468/dl.sbac42
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Micronesia (Federated States of)",
 "BasisOfRecord is one of (Occurrence evidence, Human Observation)",
 "HasCoordinate is true",
 "Elevation is greater than or equal to -1000m",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035966-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zy335w
title: Occurrence Download

description: A dataset containing 15992 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((20.82371 -32.88997,20.78543 -32.81205,20.72665 -32.75874,20.65693 -32.70952,20.55988 -32.67261,20.46282 -32.67398,20.35756 -32.71909,20.2769 -32.77924,20.24273 -32.85443,20.22495 -32.93645,20.22495 -33.00753,20.25366 -33.08135,20.30834 -33.14697,20.37806 -33.18935,20.46828 -33.21942,20.59132 -33.22626,20.68017 -33.19755,20.75126 -33.1333,20.79364 -33.05538,20.82371 -32.96926,20.82371 -32.88997))",
 "HasCoordinate is true",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 15992 records from 64 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035967-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/12731281
title: 6-letter CAPTCHA Image Dataset
DOI: 10.15468/dl.nra25q
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Steinegeria rubescens"
 ]
}

 The dataset includes 3 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035968-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hx7wsb
title: Occurrence Download

description: A dataset containing 225 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lundinia plumbea"
 ]
}

 The dataset includes 225 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035969-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.epy6up
title: Occurrence Download

description: A dataset containing 247786 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Tripleurospermum inodorum",
 "Year 1956-2022"
 ]
}

 The dataset includes 247786 records from 1425 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0035955-250802193616735/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/jtc-vdp-zqf
title: †Spirifer Sowerby, 1818

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/87j-q5v-gzv
title: Terebratula Müller, 1776

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/y4v-8pe-60k
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/4rk-a5e-lvp
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/298-sh9-qcm
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9j5-e59-nk1
title: †Aviculopecten McCoy, 1851

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/syx-32x-xvk
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/05c-zz4-ajk
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/yt4-0zw-hew
title: Porites Link, 1807

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/jcp-xzw-vyf
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/109-207-4sl
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dk3-qwt-pfb
title: Rumphia Desor, 1857

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/v6k-8c8-new
title: Favites halicora (Ehrenberg, 1834)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/zav-5s6-337
title: Porifera Grant, 1836

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/anq-g7l-azc
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/3v8-0nb-92h
title: Discophyllites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s3f-fmt-pf6
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/w08-n1r-8jp
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8kn-0ta-1sn
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/jn9-d91-xb7
title: Porifera Grant, 1836

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/3r8-00n-nb7
title: †Chaetetes Fischer, 1830

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/r7s-ez8-dg4
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/tyv-2g9-d16
title: Anthozoa

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/aq1-2vs-jlv
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/beq-sq8-f0l
title: †Caryophyllia granulata (Münster, 1826)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ht4-m2f-ew1
title: Crinoidea Miller, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xw3-w1r-cw6
title: †Timorocidaris sphaeracantha Wanner, 1920

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.vwbcfv
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pheidole megacephala",
 "Country is Tonga",
 "HasCoordinate is true"
 ]
}

 The dataset includes 11 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022642-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/kx9-fvr-65a
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/57t-q9v-dbp
title: Crinoidea Miller, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/bf5-vkf-ydt
title: †Actinastrea d'Orbigny, 1849

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ndv-vpc-rgp
title: Proarcestes

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xgc-92q-mhh
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2mb-xzb-cqt
title: †Cladiscites beyrichi Welter, 1914

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/pv5-leg-h6b
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/btw-mg7-cbk
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ssy-1bx-7vg
title: †Pinacoceras metternichi (Hauer, 1846)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9sf-3g5-npj
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xww-lry-h12
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.pqmz4m
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "Geometry POLYGON((-100.30806 25.63826,-100.21352 25.63826,-100.21352 25.68352,-100.30806 25.68352,-100.30806 25.63826))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Apalone spinifera (Lesueur, 1827)",
 "Year 2015-2025"
 ]
}

 The dataset includes 11 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011792-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bk44yf
title: Occurrence Download

description: A dataset containing 5749 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Atlapetes albofrenatus)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 5749 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0083072-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dcvhus
title: Occurrence Download

description: A dataset containing 168290 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 (Dama dama)",
 "Country is one of (Åland Islands, Albania, Andorra, Austria, Belarus, Belgium, Bosnia and Herzegovina, Bulgaria, Croatia, Czechia, Denmark, Estonia, Faroe Islands, Finland, France, Germany, Gibraltar, Greece, Guernsey, Holy See, Hungary, Iceland, Ireland, Isle of Man, Italy, Jersey, Latvia, Liechtenstein, Lithuania, Luxembourg, Malta, Moldova, Republic of, Monaco, Montenegro, Netherlands, North Macedonia, Norway, Poland, Portugal, Romania, Russian Federation, San Marino, Serbia, Slovakia, Slovenia, Spain, Svalbard and Jan Mayen, Sweden, Switzerland, Ukraine, United Kingdom of Great Britain and Northern Ireland)"
 ]
}

 The dataset includes 168290 records from 265 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0083049-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mxfxx3
title: Occurrence Download

description: A dataset containing 371 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Armeria langei Boiss."
 ]
}

 The dataset includes 371 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013336-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t482fm
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Armeria icarica Edmondson"
 ]
}

 The dataset includes 7 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013329-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.u5jwtj
title: Occurrence Download

description: A dataset containing 1187 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asperula pusilla Hook.f."
 ]
}

 The dataset includes 1187 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066351-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p755je
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Nanorana liui (Dubois, 1987))",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Machine Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066353-230224095556074/datasets/export for details.
DOI: 10.15468/dl.qa17nt
title: Occurrence Download

description: A dataset containing 796958598 species occurrences available in GBIF matching the query:
{ }

 The dataset includes 796958598 records from 17216 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009879-170714134226665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/inscriptifact-ouc110592861
title: Persepolis Fortification Aramaic Text 291, PFAT 291

description: [Text Description:] Administrative text with seals PFATS 0291; PFATS 0292 ❧ [Text or Publication Number Note:] PFAT 291, Bowman 291 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Aramaic ❧ [Physical Object Description:] Clay tablet with incised inscription and ink traces. Seal impressions PFATS 0291 on reverse; PFATS 0292 on flat edge.