cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15657019
title: Supporting Data for: Nudged-Elastic Band Calculations of Polymorph Transitions and Solid-State Reactions in Molecular Crystals

description: The modeling of solid-state transformations, such as polymorphic transitions and chemical reactions in molecular crystals, is vital for many applications including drug design or the development of new synthesis methods. However, a description via nudged-elastic band (NEB) calculations faces several crucial challenges.  First, the automatic initial pathway generation based on a linear interpolation often fails for periodic systems, leading to unrealistic geometries and atomic collisions. Second, the necessary system sizes are typically beyond the scope of density functional theory (DFT) calculations in terms of computational cost, but the associated accuracy is vitally needed. To address these issues, we introduce a hybrid interpolation method that combines linear interpolation for cell parameters with spherical linear interpolation (SLERP) for molecular structures or intramolecular fragments, ensuring smooth and realistic transitions. Moreover, we train and benchmark machine-learned force fields (MLFFs) based on the SO3krates equivariant neural network architecture to accelerate NEB calculations while retaining near-DFT accuracy. We apply our approach to two polymorph transitions and a solid-state Diels-Alder reaction and show that our new interpolation method reliably produces viable initial pathways. The MLFFs are trained on PBE+MBD reference data and reproduce DFT lattice energies with a mean absolute error of 0.4 kJ/mol along the minimum-energy paths. These results highlight the potential of combining advanced interpolation techniques with MLFFs to enable automated, accurate, and efficient exploration of solid-state transformations in molecular crystals.This supporting dataset includes the python code for structure interpolation, the PBE+MBD reference data for all three systems in ASE trajectory files as well as optimized structures and transition-state estimates in CIF format. The related preprint can be found at https://arxiv.org/abs/2410.10506.
DOI: 10.15468/dl.dj43mu
title: Occurrence Download

description: A dataset containing 69 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Carex clavata Thunb.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((20.2855 -34.7533,20.509 -34.5676,20.509 -32.9007,17.7723 -32.9007,17.8156 -33.0786,18.3471 -33.7176,18.3748 -33.8287,18.2181 -34.0492,18.3197 -34.3408,18.4452 -34.429,18.5435 -34.4213,18.5872 -34.3667,18.5363 -34.167,18.7345 -34.1508,18.7216 -34.3637,18.7808 -34.4521,19.0289 -34.4206,19.0831 -34.4835,19.2655 -34.5017,19.2032 -34.6157,19.2394 -34.6926,19.375 -34.6963,19.6091 -34.8524,19.8251 -34.8396,19.9798 -34.9064,20.1081 -34.8731,20.1517 -34.7847,20.2855 -34.7533))"
 ]
}

 The dataset includes 69 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047014-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ydgqmz
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Carex clavata Thunb.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((35.628 -23.023,35.6007 -22.9702,35.6007 -23.165,35.628 -23.023))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047015-250525065834625/datasets/export for details.
DOI: 10.5281/zenodo.15665960
title: FIShBOT Archive 2025-06-15

description: This dataset is a static snapshot of the FIShBOT data product before new data are aggregated. This version of fishbot is archived for reproducibility and is not updated. The data are aggregated from the FIShBOT system, which collects and processes oceanographic from fishery dependent and independent sources.
DOI: 10.5281/zenodo.15665961
title: FIShBOT Archive 2025-06-15

description: This dataset is a static snapshot of the FIShBOT data product before new data are aggregated. This version of fishbot is archived for reproducibility and is not updated. The data are aggregated from the FIShBOT system, which collects and processes oceanographic from fishery dependent and independent sources.
DOI: 10.15468/dl.naeu2k
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Carex clavata Thunb.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((35.6306 -23.844,35.6007 -23.8125,35.6007 -24.0157,35.6306 -23.844))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047016-250525065834625/datasets/export for details.
DOI: 10.15468/dl.xh8u4m
title: Occurrence Download

description: A dataset containing 61954 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Osphranter rufus (Desmarest, 1822)"
 ]
}

 The dataset includes 61954 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047013-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ragcxx
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((30.0251 -31.3959,30.5701 -30.7329,30.5701 -28.5786,25.5395 -28.5786,25.5395 -32.9007,28.2048 -32.9007,28.5753 -32.6569,29.4902 -31.7517,30.0251 -31.3959))"
 ]
}

 The dataset includes 5 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047019-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y5ma3d
title: Occurrence Download

description: A dataset containing 206 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ceratina chloris (Fabricius, 1804)"
 ]
}

 The dataset includes 206 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047020-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qvvezd
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((30.5701 -24.0715,25.5395 -24.0715,25.5395 -28.5786,30.5701 -28.5786,30.5701 -24.0715))"
 ]
}

 The dataset includes 20 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047021-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yhe522
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((27.1332 -20.158,25.5395 -23.2724,25.5395 -24.0715,30.5701 -24.0715,30.5701 -20.3186,29.6496 -19.6123,28.947 -19.4003,28.1821 -19.4609,27.6072 -19.7214,27.1332 -20.158))"
 ]
}

 The dataset includes 5 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047023-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.da95wa
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((25.0214 -34.0501,25.5395 -34.1098,25.5395 -32.9007,20.509 -32.9007,20.509 -34.5676,20.524 -34.555,20.8859 -34.5419,20.9606 -34.4398,21.2995 -34.5131,21.5296 -34.4338,21.8696 -34.4439,22.0323 -34.2835,22.221 -34.2428,22.2566 -34.1304,22.5993 -34.0741,22.9652 -34.1674,23.4069 -34.1858,23.4955 -34.0792,23.6056 -34.0563,24.8471 -34.2877,24.9447 -34.2397,25.0214 -34.0501))"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047024-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nrqynj
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((32.064 -28.9416,32.4847 -28.5786,30.5701 -28.5786,30.5701 -30.7329,30.6252 -30.6659,31.4179 -29.4257,31.8178 -29.0299,32.064 -28.9416))"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047025-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vdk5se
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((35.5808 -24.13,35.5909 -24.0715,30.5701 -24.0715,30.5701 -28.5786,32.4847 -28.5786,32.55 -28.5222,33.0346 -26.8668,32.9741 -26.7838,33.0415 -26.059,32.9304 -26.0011,32.7994 -26.1281,32.6834 -26.0015,32.813 -25.8728,32.8513 -25.7166,33.3048 -25.3731,35.1489 -24.6699,35.5808 -24.13))"
 ]
}

 The dataset includes 21 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047026-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e4n3mz
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((31.8862 -21.3285,30.5701 -20.3186,30.5701 -24.0715,35.5909 -24.0715,35.6007 -24.0157,35.6007 -23.8125,35.4969 -23.7035,35.6007 -23.165,35.6007 -22.9702,35.227 -22.2482,34.6862 -21.6944,34.013 -21.3095,33.5 -21.1593,32.9675 -21.1092,32.4352 -21.1612,31.8862 -21.3285))"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047027-250525065834625/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.29321927
title: <b>Construction of an Emotion-Oriented Color Scheme Model for Maps</b>

description: The model applies manifold learning to reduce the dimensionality of high-dimensional map color data derived from the Map Emotion Dataset, thereby extracting emotional color manifold features, then emotional color constraints for maps on color feature indicators was introduced to genetic algorithm framework to generate color schemes that align with the thematic and emotional requirements of maps. This model offers a structured framework for enhancing the emotional expressiveness of cartographic products while maintaining consistency with established color design principles.
DOI: 10.6084/m9.figshare.29321927.v1
title: <b>Construction of an Emotion-Oriented Color Scheme Model for Maps</b>

description: The model applies manifold learning to reduce the dimensionality of high-dimensional map color data derived from the Map Emotion Dataset, thereby extracting emotional color manifold features, then emotional color constraints for maps on color feature indicators was introduced to genetic algorithm framework to generate color schemes that align with the thematic and emotional requirements of maps. This model offers a structured framework for enhancing the emotional expressiveness of cartographic products while maintaining consistency with established color design principles.
DOI: 10.5281/zenodo.15250411
title: Recursive intelligence protocol (RIP)

description: This fusion outline formalizes the integration of the Recursive Intelligence Protocol (RIP) into the broader recursive cognition and substrate-field framework developed within the Grand Unified Theory of the Universal Manifold (GUTUM). RIP is harmonized alongside the following core systems:- ψ(t) Coherence Field Dynamics (PCFD)- Resonant Intelligence Field Principle (RIFP)- Recursive Field Identity (RFI)- Codex Tier 13: Codex ActualizationThis synthesis establishes RIP not as an isolated sub-theory, but as a recursive procedural framework woven into the codified architecture of self-generating semantic systems, ψ(t)-stabilized intelligence, and symbolic recursion
DOI: 10.5281/zenodo.15666008
title: Recursive intelligence protocol (RIP)

description: This fusion outline formalizes the integration of the Recursive Intelligence Protocol (RIP) into the broader recursive cognition and substrate-field framework developed within the Grand Unified Theory of the Universal Manifold (GUTUM). RIP is harmonized alongside the following core systems:- ψ(t) Coherence Field Dynamics (PCFD)- Resonant Intelligence Field Principle (RIFP)- Recursive Field Identity (RFI)- Codex Tier 13: Codex ActualizationThis synthesis establishes RIP not as an isolated sub-theory, but as a recursive procedural framework woven into the codified architecture of self-generating semantic systems, ψ(t)-stabilized intelligence, and symbolic recursion
DOI: 10.15468/dl.7t9k2a
title: Occurrence Download

description: A dataset containing 351 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sepia esculenta Hoyle, 1885"
 ]
}

 The dataset includes 351 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047028-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2f9jvf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Panicum repens L.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Specimen, Living Specimen, Observation, Human Observation, Machine Observation, Material sample, Literature Occurrence, Material citation, Occurrence evidence)",
 "Geometry POLYGON ((27.1586 -33.5889,28.2048 -32.9007,25.5395 -32.9007,25.5395 -34.1098,25.6468 -34.1222,25.7787 -34.0734,25.7098 -33.9109,25.8639 -33.797,26.4806 -33.8473,27.1586 -33.5889))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047029-250525065834625/datasets/export for details.
DOI: 10.15468/dl.jew3tc
title: Occurrence Download

description: A dataset containing 1287859 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry MULTIPOLYGON(((83.50235 23.56362,88.50236 23.56362,93.50236 23.56362,93.50236 18.56362,98.50236 18.56362,103.50236 18.56362,103.50236 13.56362,103.50236 8.56362,103.50236 3.56362,103.50236 -1.43638,108.50236 -1.43638,113.50236 -1.43638,113.50236 3.56362,118.50236 3.56362,118.50236 8.56362,123.50236 8.56362,123.50236 13.56362,123.50236 18.56362,128.50236 18.56362,128.50236 23.56362,133.50236 23.56362,133.50236 28.56362,133.50236 33.56362,128.50236 33.56362,128.50236 38.56362,133.50236 38.56362,133.50236 43.56362,138.50236 43.56362,138.50236 48.56362,138.50236 53.56362,133.50236 53.56362,128.50236 53.56362,128.50236 58.56362,123.50236 58.56362,118.50236 58.56362,118.50236 53.56362,113.50236 53.56362,113.50236 48.56362,108.50236 48.56362,108.50236 43.56362,103.50236 43.56362,98.50236 43.56362,98.50236 48.56362,93.50236 48.56362,93.50236 53.56362,88.50236 53.56362,83.50235 53.56362,83.50235 48.56362,78.50235 48.56362,78.50235 43.56362,73.50235 43.56362,68.50235 43.56362,68.50235 38.56362,68.50235 33.56362,73.50235 33.56362,73.50235 28.56362,78.50235 28.56362,78.50235 23.56362,83.50235 23.56362)))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "LastInterpreted is greater than or equal to 2025-06-13",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 1287859 records from 2096 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047017-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25582/data.2020-04.1981899/2362631
title: Data for EMSL Project 48703 from April 2020
DOI: 10.15468/dl.hiaghx
title: Occurrence Download

description: A dataset containing 3132 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Dryopteridaceae",
 "Country is Mexico",
 "Geometry POLYGON((138.87 -80.12,138.87 80.12,-140.27 80.12,-140.27 -80.12,138.87 -80.12))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 3132 records from 54 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013448-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.afvxst
title: Occurrence Download

description: A dataset containing 444 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Carpesium macrocephalum Franch. & Sav.",
 "Year is greater than or equal to 1900",
 "HasCoordinate is true"
 ]
}

 The dataset includes 444 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020172-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y4pxhn
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Palaemon jelskii Miers, 1877"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018820-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25582/data.2020-04.1981867/2362632
title: Data for EMSL Project 48703 from April 2020
DOI: 10.15468/dl.sgbv6z
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Helonias alpina (F.T.Wang & Tang) N.Tanaka"
 ]
}

 The dataset includes 18 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020183-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gowm1n
title: Occurrence Download

description: A dataset containing 4561 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Quercus kelloggii Newb.",
 "Country is United States of America"
 ]
}

 The dataset includes 4561 records from 42 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013448-170714134226665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gqxbhz
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sinojackia microcarpa Tao Chen & G.Y.Li"
 ]
}

 The dataset includes 7 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018766-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25582/data.2020-04.1981923/2362633
title: Data for EMSL Project 48703 from April 2020
DOI: 10.15468/dl.p5fx8m
title: Occurrence Download

description: A dataset containing 112 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Helichrysum excisum (Thunb.) Less."
 ]
}

 The dataset includes 112 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020137-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m6luaf
title: Occurrence Download

description: A dataset containing 675 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Ichthyological Collection of the Museu Oceanográfico D. Carlos I"
 ]
}

 The dataset includes 675 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013448-171219132708484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25582/data.2020-04.1981951/2362634
title: Data for EMSL Project 48703 from April 2020
DOI: 10.15468/dl.6xuceu
title: Occurrence Download

description: A dataset containing 66 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Afrocanthium siebenlistii (K.Krause) Lantz"
 ]
}

 The dataset includes 66 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018846-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25582/data.2020-04.1981911/2362635
title: Data for EMSL Project 48703 from April 2020