cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.2605372
title: Solvated protein fragments

description: The solvated protein fragments dataset probes many-body intermolecular interactions between <br>
"protein fragments" and water molecules, which are important for the description of many <br>
biologically relevant condensed phase systems. It contains structures for all possible <br>
"amons" [1] (hydrogen-saturated covalently bonded fragments) of up to eight heavy atoms <br>
(C, N, O, S) that can be derived from chemical graphs of proteins containing the 20 natural<br>
amino acids connected via peptide bonds or disulfide bridges. For amino acids that can occur <br>
in different charge states due to (de-)protonation (i.e. carboxylic acids that can be <br>
negatively charged or amines that can be positively charged), all possible structures with <br>
up to a total charge of +-2e are included. In total, the dataset provides reference energies, <br>
forces, and dipole moments for 2731180 structures calculated at the revPBE-D3(BJ)/def2-TZVP <br>
level of theory [2-5] using the ORCA 4.0.1 code [6,7]. 

For more details, see https://arxiv.org/abs/1902.08408.

[1] Huang, B. and von Lilienfeld, O. A. arXiv:1707.04146 (2017).<br>
[2] Grimme, S.; Antony, J.; Ehrlich, S. and Krieg, H. J. Chem. Phys. 132, 154104 (2010).<br>
[3] Grimme, S.; Ehrlich, S. and Goerigk, L. J. Comput. Chem. 32, 1456-1465 (2011).<br>
[4] Weigend, F. and Ahlrichs, R. Phys. Chem. Chem. Phys. 7, 3297-3305 (2005).<br>
[5] Zhang, Y. and Yang, W. Phys. Rev. Lett. 80, 890 (1998).<br>
[6] Neese, F. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2, 73-78 (2012).<br>
[7] Neese, F. Wiley Interdiscip. Rev. Comput. Mol. Sci. 8, e1327 (2018).
DOI: 10.5517/ccdc.csd.cc1pjkg7
title: CCDC 1565049: Experimental Crystal Structure Determination

description: Related Article: Lucie Melounková, Aneta Machálková, Radim Havelek, Jan Honzíček, Martina Řezáčová, Ivana Císařová, Eva Peterová, Jaromír Vinklárek|2019|J.Inorg.Biochem.|195|182|doi:10.1016/j.jinorgbio.2019.03.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pjkh8
title: CCDC 1565050: Experimental Crystal Structure Determination

description: Related Article: Lucie Melounková, Aneta Machálková, Radim Havelek, Jan Honzíček, Martina Řezáčová, Ivana Císařová, Eva Peterová, Jaromír Vinklárek|2019|J.Inorg.Biochem.|195|182|doi:10.1016/j.jinorgbio.2019.03.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1pjkj9
title: CCDC 1565051: Experimental Crystal Structure Determination

description: Related Article: Lucie Melounková, Aneta Machálková, Radim Havelek, Jan Honzíček, Martina Řezáčová, Ivana Císařová, Eva Peterová, Jaromír Vinklárek|2019|J.Inorg.Biochem.|195|182|doi:10.1016/j.jinorgbio.2019.03.015
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21ymj5
title: CCDC 1905307: Experimental Crystal Structure Determination

description: Related Article: Brian W. Skelton, Murray V. Baker, Louise E. Wedlock|2019|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5063/f1b856fh
title: Alaskan Population Demographic Information from Decennial and American Community Survey Census Data, 1940-2016

description: These data comprise Census records relating to the Alaskan people's population demographics for the State of Alaskan Salmon and People (SASAP) Project. Decennial census data were originally extracted from IPUMS National Historic Geographic Information Systems website: https://data2.nhgis.org/main (Citation: Steven Manson, Jonathan Schroeder, David Van Riper, and Steven Ruggles. IPUMS National Historical Geographic Information System: Version 12.0 [Database]. Minneapolis: University of Minnesota. 2017. http://doi.org/10.18128/D050.V12.0). A number of relevant tables of basic demographics on age and race, household income and poverty levels, and labor force participation were extracted. These particular variables were selected as part of an effort to understand and potentially quantify various dimensions of well-being in Alaskan communities. The file "censusdata_master.csv" is a consolidation of all 21 other data files in the package. For detailed information on how the datasets vary over different years, view the file "readme.docx" available in this data package. The included .Rmd file is a script which combines the 21 files by year into a single file (censusdata_master.csv). It also cleans up place names (including typographical errors) and uses the USGS place names dataset and the SASAP regions dataset to assign latitude and longitude values and region values to each place in the dataset. Note that some places were not assigned a region or location because they do not fit well into the regional framework. Considerable heterogeneity exists between census surveys each year. While we have attempted to combine these datasets in a way that makes sense, there may be some discrepancies or unexpected values. The RMarkdown document SASAPWebsiteGraphicsCensus.Rmd is used to generate a variety of figures using these data, including the additional file Chignik_population.png
DOI: 10.5063/f1g15z4d
title: Estimated annual Chinook Salmon escapement at Copper River from 1980 to 2016

description: The data available in this package are estimates of Chinook salmon spawning escapement at Copper River in Alaska, obtained from the following publication: 'Savereide, J. W., M. Tyers, and S. J. Fleischman. Run Reconstruction, Spawner-Recruit Analysis, and Escapement Goal Recommendation for Chinook Salmon in the Copper River. Alaska Department of Fish and Game, Fishery Manuscript Series No. 18-XX, Anchorage.' Contained are three data tables: (i) "Copper.Chinook.Harvest.etc.1977.to.2016.xlsx" is a spreadsheet that details estimated annual Chinook salmon totals during 1975-2016. This speadsheet is also available as in csv format, (ii) "escapement_copper-river_chinook_1975-2016_excel-sheet-1.csv". Annual escapement estimates are extracted from this table and written to (iii) "escapement_copper-river_chinook_1999-2016_standardized.csv" in a standardized format.
DOI: 10.5281/zenodo.2605076
title: Evaluation of disjunctive programs in WASP

description: Benchmark set for the paper "Evaluation of disjunctive programs in WASP" accepted for the International Conference on Logic Programming and Nonmonotonic Reasoning (LPNMR 2019).
DOI: 10.5445/ir/1000122036
title: Algorithmus zur objektiven Analyse des Einflusses von Gewindeparametern von Holzschrauben auf die Rissbildung - Algorithm for an objective analysis of the influence of thread parameters of wood screws on crack formation

description: Für die Gestaltung von Holzschrauben ist der Zusammenhang zwischen der Gestalt des Gewindes und der Funktion Tragfähigkeit besonders wichtig. Dies erfordert eine objektive Analyse des Versagens. Mit diesem Algorithmus wird eine objektive Analyse der Rissbildung von Holz in Holzschraubenverbindungen unter Verwendung von Bildverarbeitung möglich. Bewertungsgrößen sind hierbei die Risslänge und Rissbreite.
DOI: 10.13012/b2idb-0790815_v3
title: Miscanthus sinensis multi-location trial: phenotypic analysis, genome-wide association, and genomic prediction

description: This dataset contains genotypic and phenotypic data, R scripts, and the results of analysis pertaining to a multi-location field trial of Miscanthus sinensis. Genome-wide association and genomic prediction were performed for biomass yield and 14 yield-component traits across six field trial locations in Asia and North America, using 46,177 single-nucleotide polymorphism (SNP) markers mined from restriction site-associated DNA sequencing (RAD-seq) and 568 M. sinensis accessions. Genomic regions and candidate genes were identified that can be used for breeding improved varieties of M. sinensis, which in turn will be used to generate new M. xgiganteus clones for biomass.
DOI: 10.3886/e103780v2-10981
title: Child Growth in Japan, 1917-39

description: This study sought to analyse changes in child growth and health during the interwar period in Japan. The underlying dataset is a prefecture-level panel of the mean heights of boys and girls aged 6-17 measured each year from 1929 to 1939. This also contains replication files for "Disease and Child Growth in Industrialising Japan: Critical Windows and the Growth Pattern, 1917-39".<br>
description: Prefecture mean heights of boys and girls aged 6-17 measured each year from 1929-1939
DOI: 10.5063/f16h4fqs
title: Community Database Online, Road and Ferry Connectivity of Alaska Communities

description: There is a high level of diversity of connectedness among Alaskan communities. Unlike the contiguous United States, a substantial number of Alaskan communities are not on the road system. When examining demographic, economic, or other sociocultural trends in Alaskan communities, knowing whether the community is on the road or ferry system is an important factor to consider. This dataset indicates whether communities in Alaska are accessible by the Alaska Marine Highway (ferry) and if they are connected by part of a major road system during the year 2016. Road connection was established by determining whether a community was part of a major road system, allowing surface transportation to other communities, the Canadian road system, and the roads in the lower 48. The data was collected by the Division of Community and Regional Affairs Research and Analysis division within the State of Alaska Department of Commerce, Community, and Economic Development. Data were extracted in June, 2018, from the Community Database Online community report (https://www.commerce.alaska.gov/dcra/DCRAExternal/Query?reportType=communityReport).
DOI: 10.5281/zenodo.2605075
title: Evaluation of disjunctive programs in WASP

description: Benchmark set for the paper "Evaluation of disjunctive programs in WASP" accepted for the International Conference on Logic Programming and Nonmonotonic Reasoning (LPNMR 2019).
DOI: 10.5517/ccdc.csd.cc210jsd
title: CCDC 1877353: Experimental Crystal Structure Determination

description: Related Article: A. Hasija, D. Chopra|2019|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|75|451|doi:10.1107/S2053229619003589
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc210jtf
title: CCDC 1877354: Experimental Crystal Structure Determination

description: Related Article: A. Hasija, D. Chopra|2019|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|75|451|doi:10.1107/S2053229619003589
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.2604860
title: DWD European Weather

description: opendata.dwd.de - OpenData by Deutscher Wetter Dienst

Conditions: https://www.dwd.de/EN/service/copyright/copyright_node.html

dates and times are UTC.
DOI: 10.6073/pasta/efa2f3d0efd3f26f4bda86f4f7d0bfb5
title: McMurdo Dry Valleys Chlorophyll-A Concentrations in Lakes

description: An important part of the McMurdo Long Term Ecological Research (LTER) project is monitoring of spatial and temporal patterns, and processes that control primary production in perennial ice-covered lakes. This data set addresses this core area of research and quantifies chlorophyll-a concentrations at specific depths in McMurdo Dry Valley lakes.
DOI: 10.5281/zenodo.2605394
title: Code dependencies of pre-supernova evolution and nucleosynthesis in massive stars: evolution to the end of core helium burning

description: MESA inlists associated with Jones et al. (2015). MESA version 3709.

Publication DOI: 10.1093/mnras/stu2657

Files are also available in a gihub repository here
DOI: 10.5281/zenodo.2605395
title: Code dependencies of pre-supernova evolution and nucleosynthesis in massive stars: evolution to the end of core helium burning

description: MESA inlists associated with Jones et al. (2015). MESA version 3709.

Publication DOI: 10.1093/mnras/stu2657

Files are also available in a gihub repository here
DOI: 10.5281/zenodo.2605387
title: Datasets for OceanMesh2D V1.0

description: Here are the datasets necessary to run the examples included in the software package OceanMesh2D V1.0:

<pre>https://doi.org/10.5281/zenodo.1341385</pre>
DOI: 10.5281/zenodo.2605388
title: Datasets for OceanMesh2D V1.0

description: Here are the datasets necessary to run the examples included in the software package OceanMesh2D V1.0:

<pre>https://doi.org/10.5281/zenodo.1341385</pre>
DOI: 10.18112/openneuro.ds001421.v1.0.0
title: [11C]SB207145 PET Cimbi database example
DOI: 10.5281/zenodo.2605398
title: Dataset on production, processing and trading activities in Ghana's cocoa value chain

description: This covers data on production, processing and trading activities in Ghana's cocoa value chain that were used to populate a stock-and flow diagram representing the baseline model of the cocoa value chain. Data are retrieved from different secondary sources, collated in excel sheets
DOI: 10.17632/hpbthr84cz.2
title: Data for: Using foraminiferal test-size distribution and other methods to recognise Quaternary bathyal turbidites and taphonomically-modified faunas

description: Data used in the paper Using foraminiferal test-size distribution and other methods to recognise Quaternary bathyal turbidites and taphonomically-modified faunas, including raw census counts and percentages of tests sizes, planktic percentage and species and genus identifications. Also includes MAT dept hestimates and the recommended simple methodology for identifying displaced or taphonomically modified foraminiferal faunas.
DOI: 10.5281/zenodo.2605400
title: Mass ejection in failed supernovae: variation with stellar progenitor

description: MESA inlists associated with Fernández et al. (2018). MESA version 6974.

Publication DOI: 10.1093/mnras/sty306
DOI: 10.5281/zenodo.2605401
title: Mass ejection in failed supernovae: variation with stellar progenitor

description: MESA inlists associated with Fernández et al. (2018). MESA version 6974.

Publication DOI: 10.1093/mnras/sty306
DOI: 10.6073/pasta/d71bdf85bc3ebd803498b0c46be2a914
title: Bird Abundances at the Hubbard Brook Experimental Forest
    (1969-present) and on three replicate plots (1986-2000) in the
    White Mountain National Forest (Reformatted to ecocomDP Design Pattern)

description: This data package is formatted according to the "ecocomDP", a data package design pattern for ecological community surveys, and data from studies of composition and biodiversity. For more information on the ecocomDP project see https://github.com/EDIorg/ecocomDP/tree/master, or contact EDI https://environmentaldatainitiative.org.

This Level 1 data package was derived from the Level 0 data package found here: https://portal.edirepository.org/nis/mapbrowse?scope=knb-lter-hbr&identifier=81&revision=7

The abstract below was extracted from the Level 0 data package and is included for context:

Bird abundances have been determined from timed
      censuses, territory maps and nest locations at the Hubbard
      Brook Experimental Forest from 1969 to the present. This data
      set includes counts of the number of adult birds (males and
      females) per 10 ha at HBEF (1969 - present) and on three
      additional plots within the White Mountain National Forest
      (1986 - 2000).

These data were gathered as part of the Hubbard Brook
      Ecosystem Study (HBES). The HBES is a collaborative effort at
      the Hubbard Brook Experimental Forest, which is operated and
      maintained by the USDA Forest Service, Northern Research
      Station.
DOI: 10.5281/zenodo.2605405
title: Subphotospheric fluctuations in magnetized radiative envelopes: contribution from unstable magnetosonic waves

description: MESA inlists associated with Koushik et al. (2018). MESA version 6974.

Publication DOI: 10.1093/mnras/sty736
DOI: 10.5281/zenodo.2605406
title: Subphotospheric fluctuations in magnetized radiative envelopes: contribution from unstable magnetosonic waves

description: MESA inlists associated with Koushik et al. (2018). MESA version 6974.

Publication DOI: 10.1093/mnras/sty736
DOI: 10.6073/pasta/80118ef6c58d590e03dc4ad81bc6de9f
title: McMurdo Dry Valleys Limno Runs - Locations, Dates, Codes for Lake Chemistry, Biology Samples

description: This table is is a summary of "limno runs" - usually two or three per austral summer season, but may be one or, during extended seasons, over five per season. A limno run represents a complete set of samples from a lake, providing a useful code for tracking provenance used in the data lifecycle.
DOI: 10.7303/syn18463554.3
title: Synodos for NF2 - Brigatinib
DOI: 10.5281/zenodo.1409838
title: DESRA Metadata

description: Metadata for the DESRA project in an xls file
DOI: 10.5281/zenodo.1409839
title: DESRA Metadata

description: Metadata for the DESRA project in an xls file
DOI: 10.5281/zenodo.2605410
title: Determining the minimum mass of a star using MESA

description: MESA inlists and data exemplifying how to determine the minimum mass of a star using MESA. MESA version 10108.

Files are also available in a gihub repository here
DOI: 10.5281/zenodo.2605411
title: Determining the minimum mass of a star using MESA

description: MESA inlists and data exemplifying how to determine the minimum mass of a star using MESA. MESA version 10108.

Files are also available in a gihub repository here
DOI: 10.5281/zenodo.2606663
title: Dataset underpinning the paper "Terahertz plasmon resonances in two-dimensional electron systems: Modeling approaches" by S. Siaber et al 2019 Phys. Rev. Appl.

description: Dataset underpinning the paper "Terahertz plasmon resonances in two-dimensional electron systems: Modeling approaches" by S. Siaber et al 2019 Phys. Rev. Appl.
DOI: 10.5281/zenodo.2606664
title: Dataset underpinning the paper "Terahertz plasmon resonances in two-dimensional electron systems: Modeling approaches" by S. Siaber et al 2019 Phys. Rev. Appl.

description: Dataset underpinning the paper "Terahertz plasmon resonances in two-dimensional electron systems: Modeling approaches" by S. Siaber et al 2019 Phys. Rev. Appl.
DOI: 10.18112/openneuro.ds001421.v1.0.1
title: [11C]SB207145 PET Cimbi database example
DOI: 10.15128/r1z890rt249
title: Biaxial Strain Dependence of Jc of a (RE)BCO Coated Conductor at 77 K in Low Fields [Dataset]

description: The attached dataset contains all of the data plotted in the figures in the article: Greenwood, Jack R, Surrey, Elizabeth & Hampshire, Damian (2019) 'The Biaxial Strain Dependence of Jc of a (RE)BCO Coated Conductor at 77 K in Low Fields,' IEEE Transactions on Applied Superconductivity (Volume: 29, Issue: 5, August 2019). Please see the README.txt file inside the .zip file for a more detailed description of the contents.   Jack Greenwood  March 2019   email: jack.r.greenwood@durham.ac.uk
description: A superconductor was soldered onto a biaxial sample holder (known as a 'Crossboard'). The Crossboard was used to apply biaxial strains in the plane of the superconductor.  The critical current of the superconductor was then measured as a function of magnetic field and biaxial strain at 77 K.   The experimental data were then parameterised using a new biaxial strain model for the critical current. This model incorporates the strain dependent superconducting properties of single crystals of the superconducting material.
DOI: 10.5255/ukda-sn-853667
title: Longitudinal panel study data on household welfare, water resource management and governance in Kenya 2013-2016
DOI: 10.5517/ccdc.csd.cc20xx40
title: CCDC 1874822: Experimental Crystal Structure Determination

description: Related Article: Dmitri V. Konarev, Salavat S. Khasanov, Mikhail S. Batov, Alexander G. Martynov, Irina V. Nefedova, Yulia G. Gorbunova, Akihiro Otsuka, Hideki Yamochi, Hiroshi Kitagawa, Rimma N. Lyubovskaya|2019|Inorg.Chem.|58|5058|doi:10.1021/acs.inorgchem.9b00131
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc20xx62
title: CCDC 1874824: Experimental Crystal Structure Determination

description: Related Article: Dmitri V. Konarev, Salavat S. Khasanov, Mikhail S. Batov, Alexander G. Martynov, Irina V. Nefedova, Yulia G. Gorbunova, Akihiro Otsuka, Hideki Yamochi, Hiroshi Kitagawa, Rimma N. Lyubovskaya|2019|Inorg.Chem.|58|5058|doi:10.1021/acs.inorgchem.9b00131
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1q47nr
title: CCDC 1583004: Experimental Crystal Structure Determination

description: Related Article: Yating Zhou, Rhian Patterson, P. Andrew Williams, Benson M. Kariuki, Colan E. Hughes, Ranita Samanta, Ramesh Devarapalli, C. Malla Reddy, David C. Apperley, Kenneth D. M. Harris|2019|Cryst.Growth Des.|19|2155|doi:10.1021/acs.cgd.8b01775
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.