cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14278/rodare.2725
title: Retrained Models and Scripts for Aluminum at 298K and 933K

description: <strong>Retrained Models and Scripts for Aluminum at 298K and 933K</strong>

<em>Authors</em>

- Fiedler, Lenz (HZDR/CASUS)<br>
- Cangi, Attila (HZDR/CASUS)

Affiliations:

HZDR - Helmholtz-Zentrum Dresden-Rossendorf<br>
CASUS - Center for Advanced Systems Understanding

<em>Data set description</em>

This data sets contains models, scripts and inference results for aluminum at room temperature and the melting point. Training data, hyperparameters and general methodology follow Ref. [1]. The models here are retrained versions of the ones discussed in this publication, and therefore retrained versions of the models contained in Ref. [2]. As such, data from Ref. [2] has been used. Only a subset of models contained in Ref. [1] have been retrained, namely the room temperature model, one liquid and one solid melting point model with four training snapshot each, and the final melting point hybrid model (six training snapshots per phase). Furthermore, for both the hybrid melting temperature model and the room temperature model, multiple models with different initializations were trained.

All models were trained with the MALA code [3] version 1.2.1. They show better accuracy than their original counterparts, as they were trained using the inter-snapshot shuffling algorithm first discussed for the MALA code in Ref. [4].

[1] - "Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks", Physical Review B, doi.org/10.1103/PhysRevB.104.035120<br>
[2] - "RODARE", doi.org/10.14278/rodare.2485 (v1.0.0)<br>
[3] - "MALA", Zenodo, doi.org/10.5281/zenodo.5557254<br>
[4] - "Machine learning the electronic structure of matter across temperatures", Physical Review B, doi.org/10.1103/PhysRevB.108.125146

<em>Contents</em>

- The models themselves, labeled as either Al298K or Al933K, given as one .zip file per model<br>
    - For 933K, additionally "liquid", "solid" and "hybrid" denotes the training data set<br>
    - For ensembles, a running index denotes the number in the ensemble<br>
- Inference results, given as a single .zip file<br>
    - For all models, band energy and total free energy results are given in the .csv format<br>
        - The columns in these files correspond to "Calculated via DFT LDOS", "Calculated via ML-DFT LDOS", "Calculated via Kohn-Sham system", respectively<br>
    - For some models, additionally the predicted electronic density and density of states on select snapshots is given<br>
- Shuffling, training and testing scripts, given as a single .zip file<br>
    - Scripts are ready-to-use with suitable MALA installation, however, correct data paths have to be filled in<br>
    <br>
DOI: 10.5281/zenodo.10679644
title: NCAS Platform Vocabulary

description: Controlled Vocabularies of NCAS platforms
DOI: 10.5281/zenodo.10679645
title: NCAS Platform Vocabulary

description: Controlled Vocabularies of NCAS platforms
DOI: 10.5281/zenodo.8322675
title: 2. Red drum recruitment data

description: Data and code for assessing red drum density dependent compensatory mortality
DOI: 10.5281/zenodo.8322676
title: 2. Red drum recruitment data

description: Data and code for assessing red drum density dependent compensatory mortality
DOI: 10.6084/m9.figshare.13199028.v1
title: Additional file 3 of The Transcriptome of Cunninghamia lanceolata male/female cone reveal the association between MIKC MADS-box genes and reproductive organs development

description: Additional file 3 Table S4. All C. lanceolata MIKC type MADS-box genes.
DOI: 10.6084/m9.figshare.17124635
title: Additional file 3 of Identification of four hub genes in venous thromboembolism via weighted gene coexpression network analysis

description: Additional file 3. 65 DEGs in the magenta module.
DOI: 10.6084/m9.figshare.17124635.v1
title: Additional file 3 of Identification of four hub genes in venous thromboembolism via weighted gene coexpression network analysis

description: Additional file 3. 65 DEGs in the magenta module.
DOI: 10.6084/m9.figshare.16599833.v1
title: Additional file 13 of Comprehensive transcriptome and methylome analysis delineates the biological basis of hair follicle development and wool-related traits in Merino sheep

description: Additional file 13: Table S7. Number of the negatively correlated (Pearson correlation coefficient (PCC) &lt; -0.7) miRNA-targets pairs.
DOI: 10.6084/m9.figshare.16599869.v1
title: Additional file 3 of Comprehensive transcriptome and methylome analysis delineates the biological basis of hair follicle development and wool-related traits in Merino sheep

description: Additional file 3: Table S2. Comparison of expressed genes detected in this study with known genes in sheep reference genome.)
DOI: 10.6084/m9.figshare.13199040
title: Additional file 5 of The Transcriptome of Cunninghamia lanceolata male/female cone reveal the association between MIKC MADS-box genes and reproductive organs development

description: Additional file 5 Table S5. Differential expressed MIKC MADS-box genes of C. lanceolata.
DOI: 10.6084/m9.figshare.13978543
title: Additional file 2 of Comprehensive analysis of lncRNA and mRNA based on expression microarray profiling reveals different characteristics of osteoarthritis between Tibetan and Han patients

description: Additional file 2: Table S2
DOI: 10.6084/m9.figshare.26876338.v1
title: REGIMPUTE Directory

description: File package includes (1) methodology documentation, (2) data files and templates, (3) pre-calculated, FVS-ready keyword files for select western (BM, CA, EC, NC, PN, SO, WC, WS) and eastern (LS, NE) FVS variants, and (4) R scripts that can be used to largely automate custom empirical sample estimation and keyword file generation based on user-defined criteria.
DOI: 10.15468/dl.g4scfy
title: Occurrence Download

description: A dataset containing 33 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Crucihimalaya lasiocarpa (Hook.f. & Thomson) Al-Shehbaz, O'Kane & R.A.Price)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 33 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108299-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uek5yw
title: Occurrence Download

description: A dataset containing 391 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Chile",
 "TaxonKey is Caupolicana fulvicollis Spinola, 1851"
 ]
}

 The dataset includes 391 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108300-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.htu2ds
title: Occurrence Download

description: A dataset containing 397822 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is one of (Canada, Mexico, United States of America)",
 "EventDate is greater than or equal to 2024-08-04",
 "EventDate is less than or equal to 2024-09-03",
 {
 "not" : {
 "Issue" : [
 "is one of (Basis of record invalid, Coordinate reprojection failed, Coordinate reprojection suspicious, Coordinate precision invalid, Coordinate uncertainty meters invalid, Country mismatch, Country invalid, Geodetic datum invalid, Presumed swapped coordinate, Presumed negated longitude, Presumed negated latitude, Country coordinate mismatch)"
 ]
 }
 }
 ]
}

 The dataset includes 397822 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108249-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c7t4jq
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cryptocoryne crispatula Engl.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 61 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108301-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.knbvyd
title: Occurrence Download

description: A dataset containing 1345662 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-95.13192 29.05976,-94.80622 29.05976,-94.80622 29.35415,-95.13192 29.35415,-95.13192 29.05976))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1345662 records from 187 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108230-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13381653
title: Adsorption of Guanidinium Cations to the Air-Water Interface
DOI: 10.5281/zenodo.13381652
title: Adsorption of Guanidinium Cations to the Air-Water Interface
DOI: 10.15468/dl.qg9han
title: Occurrence Download

description: A dataset containing 18187 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Occurrence evidence)",
 "TaxonKey is Psidium guajava L."
 ]
}

 The dataset includes 18187 records from 288 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108302-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w349z9
title: Occurrence Download

description: A dataset containing 4113 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cryptotaenia japonica Hassk.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 4113 records from 98 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108303-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9rjnvb
title: Occurrence Download

description: A dataset containing 92 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cucumis hystrix Chakrav.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 92 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108304-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18430/m39cwl
title: X-ray diffraction data for the crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia (monoclinic P Form) (9CWL)
DOI: 10.15468/dl.v6wbgk
title: Occurrence Download

description: A dataset containing 15112 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cucumis melo L.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 15112 records from 374 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108305-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.49grnd
title: Occurrence Download

description: A dataset containing 326 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cucumis metuliferus E.Mey. ex Schrad.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 326 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108306-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kjdcvv
title: Occurrence Download

description: A dataset containing 409 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "Geometry POLYGON((-97.57679 19.85741,-97.57371 19.87937,-97.59579 19.88492,-97.6085 19.86955,-97.59718 19.85367,-97.57679 19.85741))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "StateProvince is one of (Puebla, Puebla (State))",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 409 records from 36 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108307-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6aebzc
title: Occurrence Download

description: A dataset containing 7597 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cucumis sativus L.)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 7597 records from 236 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108308-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jb6sh7
title: Occurrence Download

description: A dataset containing 33696705 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "MediaType is Image",
 "OccurrenceStatus is Present",
 "TaxonKey is Magnoliopsida"
 ]
}

 The dataset includes 33696705 records from 519 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0108242-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7dw4b9
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Porphyra C.Agardh, 1824"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0157972-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.sdn3x8
title: Occurrence Download

description: A dataset containing 105 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((118.71499462223098 21.720215670814767,122.71499462223098 21.720215670814767,122.71499462223098 25.720215670814767,118.71499462223098 25.720215670814767,118.71499462223098 21.720215670814767))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Threskiornis melanocephalus (Latham, 1790)"
 ]
}

 The dataset includes 105 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0252345-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.46ycy5
title: Occurrence Download

description: A dataset containing 3989 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Pinus albicaulis Engelm.)",
 "HasCoordinate is one of (true)",
 "OccurrenceStatus is one of (Present)"
 ]
}

 The dataset includes 3989 records from 85 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066207-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ryteqz
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Year 2010-2019",
 "HasCoordinate is true",
 "TaxonKey is Litopenaeus vannamei (Boone, 1931)",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 31 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011121-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.waegth
title: Occurrence Download

description: A dataset containing 3093 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is Portugal",
 "Country is Spain"
 ]
 },
 "DatasetKey is EDP Baixo Sabor: Land Birds - Construction and Reservoir Filling Phases: stream weirs in the Sabor tributaries [2010-2014]",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 3093 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0252360-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3ph5g4
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Epidendrum mesocarpum Hágsater"
 ]
}

 The dataset includes 38 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0157974-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nfq5fv
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Entada simplicata (Barneby) Sch.Rodr. & A.S.Flores"
 ]
}

 The dataset includes 9 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0157973-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qbs3n7
title: Occurrence Download

description: A dataset containing 55056 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Reptiles and Amphibians Dataset"
 ]
}

 The dataset includes 55056 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011114-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vmkqst
title: Occurrence Download

description: A dataset containing 32012 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "Country is one of (Netherlands, Germany, Poland)",
 "OccurrenceStatus is Present",
 "TaxonKey is Cornu aspersum (O.F.Müller, 1774)",
 "Year 2014-2024"
 ]
}

 The dataset includes 32012 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007067-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zj33ys
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is Germany",
 "Country is Austria",
 "Country is Hungary",
 "Country is Romania",
 "Country is Serbia",
 "Country is Bulgaria",
 "Country is Slovakia",
 "Country is Croatia"
 ]
 },
 "TaxonKey is Sinanodonta woodiana (I.Lea, 1834)"
 ]
}

 The dataset includes 72 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0252344-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a3kkkb
title: Occurrence Download

description: A dataset containing 249 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Danae racemosa (L.) Moench"
 ]
}

 The dataset includes 249 records from 49 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011123-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.z6dtwk
title: Occurrence Download

description: A dataset containing 27489 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((119.36688288822985 22.12537359643529,122.513736035083 22.12537359643529,122.513736035083 25.272226743288435,119.36688288822985 25.272226743288435,119.36688288822985 22.12537359643529))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Calidris alpina (Linnaeus, 1758)"
 ]
}

 The dataset includes 27489 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0252365-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dqdty6
title: Occurrence Download

description: A dataset containing 1490 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Arrenurus cuspidator (O.F.Müller, 1776)"
 ]
}

 The dataset includes 1490 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011120-190918142434337/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qn8c9y
title: Occurrence Download

description: A dataset containing 109727 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Plantae",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "Country is Germany",
 "DecimalLongitude is greater than or equal to 8.20688818606202",
 "DecimalLongitude is less than 8.20994773924641",
 "DecimalLatitude is greater than or equal to 47.27011",
 "DecimalLatitude is less than or equal to 55.05864"
 ]
}

 The dataset includes 109727 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007007-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4zcume
title: Occurrence Download

description: A dataset containing 18412 species occurrences available in GBIF matching the query:
{
 "Geometry" : [
 "MULTIPOLYGON(((5.241862535476685 43.294803095683314,5.241862535476685 43.25493380778211,5.340739488601685 43.25493380778211,5.340739488601685 43.294803095683314,5.241862535476685 43.294803095683314)))"
 ]
}

 The dataset includes 18412 records from 73 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0273771-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xudzqc
title: Occurrence Download

description: A dataset containing 3070 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Soldanella pusilla Baumg.",
 "HasCoordinate is true",
 "Continent is Europe",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2000",
 "CoordinateUncertaintyInMeters is less than 10000"
 ]
}

 The dataset includes 3070 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007050-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.