cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.11219061
title: Geometry optimizations and electronic excitation spectra of an OLED emitter

description: This dataset contains the main input and output files for the simulations reported in the study Wagner, J.; Kumar, D.; Kochman, M. A.; Gryber, T.; Grzelak, M.; Kubas, A.; Data, P.; Lindner, M. Facile Functionalization of Ambipolar, Nitrogen-Doped PAHs toward Highly Efficient TADF OLED Emitters. ACS Appl. Mater. Interfaces 2023, 15, 37728−37740. DOI: 10.1021/acsami.3c07552.

The electronic structure calculations were performed within the program Turbomole, version 6.3.1. The ground electronic state of the model compound was treated at the SOS-MP2/6-31G(d) level of theory, while its excited electronic states were described at the SOS-ADC(2)/6-31G(d) level. 

The geometry optimizations were carried out by interfacing Turbomole to the program Gaussian 16. In this setup, Gaussian acts as a "wrapper" around Turbomole, and calls Turbomole for the calculation of the energy and the gradient of the chosen electronic states. The interface consists of the C++ programs "get_forces_opt.cpp", "format_gradient.cpp", and the script "run_tm.bash". The number of atoms in the molecule is defined in the file "settings". 

A detailed summary of the computational parameters will be provided in a correction to our article.
DOI: 10.5281/zenodo.11219062
title: Geometry optimizations and electronic excitation spectra of an OLED emitter

description: This dataset contains the main input and output files for the simulations reported in the study Wagner, J.; Kumar, D.; Kochman, M. A.; Gryber, T.; Grzelak, M.; Kubas, A.; Data, P.; Lindner, M. Facile Functionalization of Ambipolar, Nitrogen-Doped PAHs toward Highly Efficient TADF OLED Emitters. ACS Appl. Mater. Interfaces 2023, 15, 37728−37740. DOI: 10.1021/acsami.3c07552.

The electronic structure calculations were performed within the program Turbomole, version 6.3.1. The ground electronic state of the model compound was treated at the SOS-MP2/6-31G(d) level of theory, while its excited electronic states were described at the SOS-ADC(2)/6-31G(d) level. 

The geometry optimizations were carried out by interfacing Turbomole to the program Gaussian 16. In this setup, Gaussian acts as a "wrapper" around Turbomole, and calls Turbomole for the calculation of the energy and the gradient of the chosen electronic states. The interface consists of the C++ programs "get_forces_opt.cpp", "format_gradient.cpp", and the script "run_tm.bash". The number of atoms in the molecule is defined in the file "settings". 

A detailed summary of the computational parameters will be provided in a correction to our article.
DOI: 10.15468/dl.hqmqet
title: Occurrence Download

description: A dataset containing 281 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Tanzania, United Republic of",
 "TaxonKey is one of (Allanblackia ulugurensis Engl., Allanblackia stuhlmannii (Engl.) Engl.)"
 ]
}

 The dataset includes 281 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022933-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qxxunv
title: Occurrence Download

description: A dataset containing 34491 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((66.62441 13.50067,156.12441 13.50067,156.12441 49.28534,66.62441 49.28534,66.62441 13.50067))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Sus scrofa Linnaeus, 1758"
 ]
}

 The dataset includes 34491 records from 56 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022932-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11109217
title: Basic-ECVs for Case Studies (monthly timeseries)

description: Monthly timeseries of basic-ecvs (.csv) spatially averaged over Case Studies for different climate scenarios (historical, SSP1-2.6, SSP2-4.5, SSP5-8.5) and time horizons (1985-2014, 2015-2100). Data are created by RethinkAction project using statistical downscaling method from CMIP6 simulations.

We acknowledge the World Climate Research Programme, which, through its Working Group on Coupled Modelling, coordinated and promoted CMIP6. We thank the climate modeling groups for producing and making available their model output, the Earth System Grid Federation (ESGF) for archiving the data and providing access, and the multiple funding agencies who support CMIP6 and ESGF.

Moreover, we acknowledge the Copernicus Climate Change Service (C3S) Climate Data Store (CDS) to provide access to CMIP6, CERRA, ERA5 and ERA5-Land data:



Copernicus Climate Change Service, Climate Data Store, (2021): CMIP6 climate projections. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.c866074c.

Schimanke S., Ridal M., Le Moigne P., Berggren L., Undén P., Randriamampianina R., Andrea U., Bazile E., Bertelsen A., Brousseau P., Dahlgren P., Edvinsson L., El Said A., Glinton M., Hopsch S., Isaksson L., Mladek R., Olsson E., Verrelle A., Wang Z.Q., (2021): CERRA sub-daily regional reanalysis data for Europe on single levels from 1984 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.622a565a

Hersbach, H., Bell, B., Berrisford, P., Biavati, G., Horányi, A., Muñoz Sabater, J., Nicolas, J., Peubey, C., Radu, R., Rozum, I., Schepers, D., Simmons, A., Soci, C., Dee, D.,Thépaut, J-N. (2023): ERA5 hourly data on single levels from 1940 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.adbb2d47

Muñoz Sabater, J. (2019): ERA5-Land hourly data from 1950 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.e2161bac


Acknowledgement also to:



DRAAC, 2023, Regional climate data provided by the Regional Ditectorate for the Environment and Climate Change of the Regional Autonomous Government of Azores (https://portal.azores.gov.pt/en/web/draac)

SRAA\CCIAM, 2017. Programa Regional de Alterações Climáticas (PRAC), Secretaria Regional do Ambiente e Ação Climática (SRAA) of the Governo dos Açores, Climate Change Impacts, Adaptation and Modelling (CCIAM) of the Faculdade de Ciências da Universidade de Lisboa (FCUL), https://snig.dgterritorio.gov.pt/rndg/srv/por/catalog.search#/metadata/8804acd9-9d0f-40fb-bc2e-e4dff8c2b4b1
DOI: 10.5281/zenodo.11109218
title: Basic-ECVs for Case Studies (monthly timeseries)

description: Monthly timeseries of basic-ecvs (.csv) spatially averaged over Case Studies for different climate scenarios (historical, SSP1-2.6, SSP2-4.5, SSP5-8.5) and time horizons (1985-2014, 2015-2100). Data are created by RethinkAction project using statistical downscaling method from CMIP6 simulations.

We acknowledge the World Climate Research Programme, which, through its Working Group on Coupled Modelling, coordinated and promoted CMIP6. We thank the climate modeling groups for producing and making available their model output, the Earth System Grid Federation (ESGF) for archiving the data and providing access, and the multiple funding agencies who support CMIP6 and ESGF.

Moreover, we acknowledge the Copernicus Climate Change Service (C3S) Climate Data Store (CDS) to provide access to CMIP6, CERRA, ERA5 and ERA5-Land data:



Copernicus Climate Change Service, Climate Data Store, (2021): CMIP6 climate projections. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.c866074c.

Schimanke S., Ridal M., Le Moigne P., Berggren L., Undén P., Randriamampianina R., Andrea U., Bazile E., Bertelsen A., Brousseau P., Dahlgren P., Edvinsson L., El Said A., Glinton M., Hopsch S., Isaksson L., Mladek R., Olsson E., Verrelle A., Wang Z.Q., (2021): CERRA sub-daily regional reanalysis data for Europe on single levels from 1984 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.622a565a

Hersbach, H., Bell, B., Berrisford, P., Biavati, G., Horányi, A., Muñoz Sabater, J., Nicolas, J., Peubey, C., Radu, R., Rozum, I., Schepers, D., Simmons, A., Soci, C., Dee, D.,Thépaut, J-N. (2023): ERA5 hourly data on single levels from 1940 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.adbb2d47

Muñoz Sabater, J. (2019): ERA5-Land hourly data from 1950 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.e2161bac


Acknowledgement also to:



DRAAC, 2023, Regional climate data provided by the Regional Ditectorate for the Environment and Climate Change of the Regional Autonomous Government of Azores (https://portal.azores.gov.pt/en/web/draac)

SRAA\CCIAM, 2017. Programa Regional de Alterações Climáticas (PRAC), Secretaria Regional do Ambiente e Ação Climática (SRAA) of the Governo dos Açores, Climate Change Impacts, Adaptation and Modelling (CCIAM) of the Faculdade de Ciências da Universidade de Lisboa (FCUL), https://snig.dgterritorio.gov.pt/rndg/srv/por/catalog.search#/metadata/8804acd9-9d0f-40fb-bc2e-e4dff8c2b4b1
DOI: 10.21227/7x3c-5p06
title: Traffic datsets: Abilene, GEANT, TaxiBJ

description: This archive includes three popular traffic datasets: Abilene, GEANT, and TaxiBJ. Abilene and GEANT is network traffic datsets and TaxiBJ is urban traffic datset. This archive includes three popular traffic datasets: Abilene, GEANT, and TaxiBJ. Abilene and GEANT is network traffic datsets and TaxiBJ is urban traffic datset. This archive includes three popular traffic datasets: Abilene, GEANT, and TaxiBJ. Abilene and GEANT is network traffic datsets and TaxiBJ is urban traffic datset.
DOI: 10.5281/zenodo.11219051
title: Tree-ring-based annual aboveground biomass increment maps in North America
DOI: 10.5281/zenodo.11219052
title: Tree-ring-based annual aboveground biomass increment maps in North America
DOI: 10.5281/zenodo.11109139
title: Basic-ECVs for Case Studies (maps)

description: Climate maps (raster layers .tif) of basic-ecvs with a spatial resolution of 5.5 km (1 km for Azores) obtained by statistically downscaling a set of CMIP6 simulations for different IPCC climate scenarios (historical, SSP1-2.6, SSP2-4.5, SSP5-8.5) and time horizons (reference, short time-horizon, medium time-horizon, long time-horizon). Data are representative of specific climate normals (yearly averaged values) and created by RethinkAction project.

We acknowledge the World Climate Research Programme, which, through its Working Group on Coupled Modelling, coordinated and promoted CMIP6. We thank the climate modeling groups for producing and making available their model output, the Earth System Grid Federation (ESGF) for archiving the data and providing access, and the multiple funding agencies who support CMIP6 and ESGF.

Moreover, we acknowledge the Copernicus Climate Change Service (C3S) Climate Data Store (CDS) to provide access to CMIP6, CERRA, ERA5 and ERA5-Land data:



Copernicus Climate Change Service, Climate Data Store, (2021): CMIP6 climate projections. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.c866074c.

Schimanke S., Ridal M., Le Moigne P., Berggren L., Undén P., Randriamampianina R., Andrea U., Bazile E., Bertelsen A., Brousseau P., Dahlgren P., Edvinsson L., El Said A., Glinton M., Hopsch S., Isaksson L., Mladek R., Olsson E., Verrelle A., Wang Z.Q., (2021): CERRA sub-daily regional reanalysis data for Europe on single levels from 1984 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.622a565a

Hersbach, H., Bell, B., Berrisford, P., Biavati, G., Horányi, A., Muñoz Sabater, J., Nicolas, J., Peubey, C., Radu, R., Rozum, I., Schepers, D., Simmons, A., Soci, C., Dee, D.,Thépaut, J-N. (2023): ERA5 hourly data on single levels from 1940 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS), DOI: 10.24381/cds.adbb2d47 

Muñoz Sabater, J. (2019): ERA5-Land hourly data from 1950 to present. Copernicus Climate Change Service (C3S) Climate Data Store (CDS). DOI: 10.24381/cds.e2161bac 


Acknowledgement also to: 



DRAAC, 2023, Regional climate data provided by the Regional Ditectorate for the Environment and Climate Change of the Regional Autonomous Government of Azores (https://portal.azores.gov.pt/en/web/draac)

SRAA\CCIAM, 2017. Programa Regional de Alterações Climáticas (PRAC), Secretaria Regional do Ambiente e Ação Climática (SRAA) of the Governo dos Açores, Climate Change Impacts, Adaptation and Modelling (CCIAM) of the Faculdade de Ciências da Universidade de Lisboa (FCUL), https://snig.dgterritorio.gov.pt/rndg/srv/por/catalog.search#/metadata/8804acd9-9d0f-40fb-bc2e-e4dff8c2b4b1
DOI: 10.15468/dl.tp27tw
title: Occurrence Download

description: A dataset containing 7722 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Artportalen (Swedish Species Observation System)",
 "TaxonKey is Sus scrofa Linnaeus, 1758"
 ]
}

 The dataset includes 7722 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022935-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11219112
title: Curated reference files for GCAP (WES)

description: Provides big reference files or extra datasets/models for (in) GCAP project. 

The reference files are adapted from https://github.com/Wedge-lab/battenberg, more specifically, https://ora.ox.ac.uk/objects/uuid:08e24957-7e76-438a-bd38-66c48008cf52.

News:



Removed the correction files marked with 'update', which does not work for the latest version of ASCAT v3.
DOI: 10.5281/zenodo.5488941
title: Curated reference files for GCAP (WES)

description: Provides big reference files or extra datasets/models for (in) GCAP project. 

The reference files are adapted from https://github.com/Wedge-lab/battenberg, more specifically, https://ora.ox.ac.uk/objects/uuid:08e24957-7e76-438a-bd38-66c48008cf52.

News:



Removed the correction files marked with 'update', which does not work for the latest version of ASCAT v3.
DOI: 10.5281/zenodo.6364977
title: Curated reference files for GCAP (WES)

description: Provides big reference files or extra datasets/models for (in) GCAP project. The reference files are adapted from https://github.com/Wedge-lab/battenberg, more specifically, https://ora.ox.ac.uk/objects/uuid:08e24957-7e76-438a-bd38-66c48008cf52. The correction files marked with 'update' are for working with latest version of ASCATv3.
DOI: 10.5281/zenodo.6524005
title: Curated reference files for GCAP (WES)

description: Provides big reference files or extra datasets/models for (in) GCAP project. The reference files are adapted from https://github.com/Wedge-lab/battenberg, more specifically, https://ora.ox.ac.uk/objects/uuid:08e24957-7e76-438a-bd38-66c48008cf52. The correction files marked with 'update' are for working with latest version of ASCATv3. News: - Added some common used gene sets from msigdb, license see http://www.gsea-msigdb.org/gsea/downloads.jsp
DOI: 10.15468/dl.fju3zf
title: Occurrence Download

description: A dataset containing 7722 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Artportalen (Swedish Species Observation System)",
 "TaxonKey is Sus scrofa Linnaeus, 1758"
 ]
}

 The dataset includes 7722 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022936-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ryvamd
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Aeverrillia armata (Verrill, 1873))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 15 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022937-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gm9shq
title: Occurrence Download

description: A dataset containing 9886 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen, Living Specimen)",
 "Geometry POLYGON((-120 -60,-25 -60,-25 30,-120 30,-120 -60))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Cissus verticillata (L.) Nicolson & C.E.Jarvis"
 ]
}

 The dataset includes 9886 records from 307 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022939-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.avt5qy
title: Occurrence Download

description: A dataset containing 36 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Aeverrillia setigera (Hincks, 1887))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 36 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022940-240506114902167/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.22708036
title: Less is More: An Empirical Study of Undersampling Techniques for Technical Debt Prediction

description: Technical Debt (TD) prediction is crucial to preventing software quality degradation and maintenance cost increase. Recent Machine Learning (ML) approaches have shown promising results in TD prediction, but the imbalanced TD datasets can have a negative impact on ML model performance. Although previous TD studies have investigated various oversampling techniques that generates minority class instances to mitigate the imbalance, potentials of undersampling techniques have not yet been thoroughly explored due to the concerns about information loss. To address this gap, we investigate the impact of undersampling on ML model performance for TD prediction by utilizing 17,797 classes from 25 Java open-source projects. We compare the performance of ML models with different undersampling techniques and evaluate the impact of combining them with widely used oversampling techniques in TD studies. Our findings reveal that (i) undersampling can significantly improve ML model performance compared to oversampling and no resampling; (ii) the combined application of undersampling and oversampling techniques leads to a synergy of further performance improvement compared to applying each technique exclusively. Based on these results, we recommend practitioners to explore various undersampling techniques and their combinations with oversampling techniques for more effective TD prediction.<br>This package is for the replication of 'Less is More: an Empirical Study of Undersampling Techniques for Technical Debt Prediction'File list:X.csv, Y.csv: - These are the datasets for the study, used in the ipynb file below.<br>under_over_sampling_scripts.ipynb: - These scripts can obtain all the experimental results from the study. - They can be run through Jupyter Notebook or Google Colab. - The required packages are listed at the top in the file, so installation via pip or conda is necessary before running.Results_for_all_tables.csv: This is a csv file that summarizes all the results obtained from the study.
DOI: 10.15468/dl.fen4tx
title: Occurrence Download

description: A dataset containing 534 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Brachymeria lasus (Walker, 1841)"
 ]
}

 The dataset includes 534 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022941-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7vxe4x
title: Occurrence Download

description: A dataset containing 54363 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is one of (Africa, Asia, Europe)",
 "Issue is one of (Zero coordinate, Coordinate rounded, Geodetic datum invalid, Geodetic datum assumed WGS84, Coordinate reprojected, Coordinate reprojection failed, Coordinate reprojection suspicious, Coordinate accuracy invalid, Coordinate precision invalid, Coordinate uncertainty meters invalid, Coordinate precision/uncertainty mismatch, Footprint SRS invalid, Footprint WKT mismatch, Footprint WKT invalid, Country coordinate mismatch, Country mismatch, Country invalid, Country derived from coordinates, Continent coordinate mismatch, Continent country mismatch, Continent invalid, Continent derived from country, Continent derived from coordinates, Presumed swapped coordinate, Recorded date mismatch, Recorded date invalid, Recorded date unlikely, Taxon match fuzzy, Taxon match higher rank, Taxon match aggregate, The scientific name ID was not used in backbone matching, The taxon concept ID was not used in backbone matching, The taxon ID was not used in backbone matching, The scientific name ID was not found in the checklist, The taxon concept ID was not found in the checklist, The taxon ID was not found in the checklist, The scientific name differs on the record from that found in the checklist, Taxon match none, The backbone match found using the taxon IDs differs from what would be found if using the scientific names , Depth not metric, Depth unlikely, Depth min max swapped, Depth non numeric, Elevation unlikely, Elevation min max swapped, Elevation not metric, Elevation non numeric, Modified date invalid, Modified date unlikely, Identified date unlikely, Identified date invalid, Basis of record invalid, Type status invalid, Multimedia date invalid, Multimedia URI invalid, References URI invalid, Error during interpretation, Individual count invalid, Individual count conflicts with occurrence status, Occurrence status inferred from individual count, ccurrence status inferred from basis of record, Georeferenced date unlikely, Georeferenced date invalid, Ambiguous institution, Ambiguous collection, Institution match none, Collection match none, Institution match fuzzy, Collection match fuzzy, Institution collection mismatch, Possibly on loan, Different owner institution)",
 "TaxonKey is Testudinidae",
 "Year 1987-2024"
 ]
}

 The dataset includes 54363 records from 327 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022931-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6a1zkx
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Malaysia",
 "TaxonKey is Nycticebus menagensis Lydekker, 1893"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001389-171025204727650/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4hm932
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Porroglossum nutibara Luer & R.Escobar"
 ]
}

 The dataset includes 4 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0188795-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.