cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5066/p9cvhlmb
title: Application of the National Hydrologic Model Infrastructure with the Precipitation-Runoff Modeling System (NHMI-PRMS), 1950-2010, Maurer Calibration

description: This data release contains inputs for and outputs from hydrologic simulations for the conterminous United States (CONUS) using the Precipitation Runoff Modeling System (PRMS) version 5.1.0 and the USGS National Hydrologic Model Infrastructure (NHMI, Regan and others, 2018). These simulations were developed to provide estimates of the water budget for the period 1950 to 2010. Specific file types include: 1) input atmospheric forcings of minimum air temperature, maximum air temperature, and daily precipitation accumulation derived from a gridded observation-based dataset developed by Maurer and others (2002), 2) input parameter files for static and dynamic land cover conditions, and 3) output files of simulated water budget components for each hydrologic response unit and stream segment. Figure 1 shows the calibration methodology that was used for the model application (see LaFontaine and others, 2019 for additional information). Table 1 lists the streamgages that are included in the model application. Table 2 lists the calibration datasets that were used in addition to USGS measured streamflow. The first three years of the simulations are considered 'model initialization' and should not be included in any subsequent analsysis.
DOI: 10.6084/m9.figshare.24009063
title: Stronger evidence for genetic ancestry than environmental conditions in shaping the evolution of a complex signaling trait during biological invasion

description: Analysis scripts and data files associated with Pita-Aquino et al. (2023, Molecular Ecology): Stronger evidence for genetic ancestry than environmental conditions in shaping the evolution of a complex signaling trait during biological invasion.The README.txt file provides additional information on the contents of this archive.
DOI: 10.6084/m9.figshare.24009063.v1
title: Stronger evidence for genetic ancestry than environmental conditions in shaping the evolution of a complex signaling trait during biological invasion

description: Analysis scripts and data files associated with Pita-Aquino et al. (2023, Molecular Ecology): Stronger evidence for genetic ancestry than environmental conditions in shaping the evolution of a complex signaling trait during biological invasion.The README.txt file provides additional information on the contents of this archive.
DOI: 10.5517/ccdc.csd.cc2byqdf
title: CCDC 2173515: Experimental Crystal Structure Determination

description: Related Article: Maoqing Shi|2022|CSD Communication|||
description: Related Article: Maoqing Shi, Gejun Niu, Tianyuan Zhang, Aimin Xu, Rimei Zheng, Abdulla Yusuf, Taoda Shi, Wenhao Hu, Yu Qian|2023|Chem.Commun.|59|10311|doi:10.1039/D3CC03253A
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.cc2dzjc9
title: CCDC 2233871: Experimental Crystal Structure Determination

description: Related Article: SHUBHANKAR BARMAN|2022|CSD Communication|||
description: Related Article: Shubhankar Barman, Priya Ranjan, Anuja Datta|2023|Chem.Commun.|59|10283|doi:10.1039/D3CC02666C
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.8273739
title: cg2all datasets

description: Training/validation/test sets for the cg2all development. In the "set.tar.gz" file, there are multiple files containing lists of PDB IDs. targets.train.pdb.6k: training set, pdb.6k targets.train.pdb.29k: training set, pdb.29k targets.valid.pdb: validation set for both pdb.6k and pdb.29k targets.test.pdb: test set for both pdb.6k and pdb.29k In each "tgz" file, there are two subdirectories: original and augment. In "original" directory, there are PDB files, which are curated and cleaned up using process_pdb.py script. In "augment" directory, there are the same set of PDB files with different atomic coordinates. They were used to augment the original training data set in terms of sidechain's rotamer states. For the details about the augmentation procedure, please refer to our paper.
DOI: 10.5281/zenodo.8273738
title: cg2all datasets

description: Training/validation/test sets for the cg2all development. In the "set.tar.gz" file, there are multiple files containing lists of PDB IDs. targets.train.pdb.6k: training set, pdb.6k targets.train.pdb.29k: training set, pdb.29k targets.valid.pdb: validation set for both pdb.6k and pdb.29k targets.test.pdb: test set for both pdb.6k and pdb.29k In each "tgz" file, there are two subdirectories: original and augment. In "original" directory, there are PDB files, which are curated and cleaned up using process_pdb.py script. In "augment" directory, there are the same set of PDB files with different atomic coordinates. They were used to augment the original training data set in terms of sidechain's rotamer states. For the details about the augmentation procedure, please refer to our paper.
DOI: 10.34740/kaggle/dsv/6347663
title:  Latest & Update Potato Leaf Diseases Dataset
DOI: 10.6073/pasta/dbdb75efdecb329ac6011bcb0fe9b2d9
title: Densities and cover data for intertidal organisms from an LTREB project in the Gulf of Maine, USA, from 1996 to 2023.

description: Experimental clearings in macroalgal (Ascophyllum nodosum) stands were made in 1996 to determine if mussel beds and macroalgal stands on protected intertidal shores in New England represent alternative community states. Uncleared control plots and four sizes of circular clearings (1m, 2m, 4m and 8m in diameter), which mimicked ice scour events, were established in A. nodosum stands at 12 sites on Swan’s Island, Maine, USA. The purpose of these datasets is to provide access to data on densities and percentage cover in the 60 experimental plots from 1996 to 2023. Earlier versions of the data prior to 2007 can be found in Ecological Archives ( E087-047 and E089-032). The current EDI version includes corrections of errors in the versions in Ecological Archives. Data include densities of mussels (Mytilus edulis), an herbivorous limpet (Testudinalia testudinalis), herbivorous snails (Littorina littorea, Littorina obtusata), a predatory snail (Nucella lapillus), a barnacle (Semibalanus balanoides), and fucoid algae (Ascophyllum nodosum and Fucus vesiculosus), and percentage cover by mussels, barnacles, fucoids and other sessile organisms. Research was funding by NSF's LTREB program.
DOI: 10.5517/ccdc.csd.cc2fp90g
title: CCDC 2254785: Experimental Crystal Structure Determination

description: Related Article: Gary E. Aspnes, Scott W. Bagley, Steven B. Coffey, Edward L. Conn, John M. Curto, David J. Edmonds, Julien Genovino, David A. Griffith, Gajendra Ingle, Wenhua Jiao, Chris Limberakis, Alan M. Mathiowetz, David W. Piotrowski, Colin R. Rose, Roger B. Ruggeri, Liuqing Wei|2023|Bioorg.Med.Chem.Lett.|94|129454|doi:10.1016/j.bmcl.2023.129454
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.cc2fjqrg
title: CCDC 2250406: Experimental Crystal Structure Determination

description: Related Article: Meng Wang, Simin Li, Huijun Chen, Xueli Sun, Jing Sun, Yanyuan Jia, Shuo Guo, Cunfa Sun, Hui Shen|2023|Dalton Trans.|52|10332|doi:10.1039/D3DT01461D
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.cc2fjqsh
title: CCDC 2250407: Experimental Crystal Structure Determination

description: Related Article: Meng Wang, Simin Li, Huijun Chen, Xueli Sun, Jing Sun, Yanyuan Jia, Shuo Guo, Cunfa Sun, Hui Shen|2023|Dalton Trans.|52|10332|doi:10.1039/D3DT01461D
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.8265451
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.1

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8265450
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.1

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8266257
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.2

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8266256
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.2

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8268223
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.3

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8268222
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.3

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8268811
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.4

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.5281/zenodo.8268810
title: Computational Data for the Cycloisomerisation of Propargyl amides by Silver NHC benzoates pt.4

description: DFT optimised Structures of Silver NHC benzoates, and other files related to the effects of the benzoate anion in the cycloisomerisation of propargyl amides to 5-alkylidene oxazoles, including intermediates, NBO analysis and predicted NMR data, completed as a part of AMS MRes Research Module at Imperial College London, used in the MRes Thesis of Philip David Krause, under the supervision of Prof King Kuok (Mimi) Hii, and Dr Ben Deadman. Thesis: SUBSTITUENT EFFECTS OF BENZOATES IN SILVER N-HETEROCYCLIC CARBENE BENZOATE COMPLEXES AND THEIR CATALYSIS
DOI: 10.17909/p2ep-ex29
title: Data from paper 

description: The sizes are measured with the fits images of CEERS data in filter F200W. The galaxy candidates are described in Labbe+23.
DOI: 10.6084/m9.figshare.23921412
title: Neighbourhood watch: genomic epidemiology of SARS-CoV-2 variants circulating in a German federal state, Mecklenburg-Western Pomerania, in 2020–2022

description: Global and even national genome surveillance approaches do not provide the resolution necessary for rapid and accurate direct response by local public health authorities. Hence, a regional network of microbiological laboratories in collaboration with the health departments of all districts of the German federal state of Mecklenburg-Western Pomerania (M-V) was formed to investigate the regional molecular epidemiology of circulating SARS-CoV-2 lineages between 11/2020 and 03/2022. More than 4750 samples from all M-V counties were sequenced using Illumina and Nanopore technologies. Overall, 3493 (73.5%) sequences fulfilled quality criteria for time-resolved and/or spatially-resolved maximum likelihood phylogenic analyses and k-mean/ median clustering (KMC). We identified 116 different Pangolin virus lineages that can be assigned to 16 Nextstrain clades. The ten most frequently detected virus lineages belonged to B.1.1.7, AY.122, AY.43, BA.1, B.1.617.2, BA.1.1, AY.9.2, AY.4, P.1 and AY.126. Time-resolved phylogenetic analyses showed the occurrence of virus clades as determined worldwide, but with a substantial delay of one to two months. Further spatio-temporal phylogenetic analyses revealed a regional outbreak of a Gamma variant limited to western M-V counties. Finally, KMC elucidated a successive introduction of the various virus lineages into M-V, possibly triggered by vacation periods with increased (inter-) national travel activities. The COVID-19 pandemic in M-V was shaped by a combination of several SARS-CoV-2 introductions, lockdown measures, restrictive quarantine of patients and the lineage specific replication rate. Complementing global and national surveillance, regional surveillance adds value by providing a higher level of surveillance resolution tailored to local health authorities.
DOI: 10.6084/m9.figshare.23921412.v2
title: Neighbourhood watch: genomic epidemiology of SARS-CoV-2 variants circulating in a German federal state, Mecklenburg-Western Pomerania, in 2020–2022

description: Global and even national genome surveillance approaches do not provide the resolution necessary for rapid and accurate direct response by local public health authorities. Hence, a regional network of microbiological laboratories in collaboration with the health departments of all districts of the German federal state of Mecklenburg-Western Pomerania (M-V) was formed to investigate the regional molecular epidemiology of circulating SARS-CoV-2 lineages between 11/2020 and 03/2022. More than 4750 samples from all M-V counties were sequenced using Illumina and Nanopore technologies. Overall, 3493 (73.5%) sequences fulfilled quality criteria for time-resolved and/or spatially-resolved maximum likelihood phylogenic analyses and k-mean/ median clustering (KMC). We identified 116 different Pangolin virus lineages that can be assigned to 16 Nextstrain clades. The ten most frequently detected virus lineages belonged to B.1.1.7, AY.122, AY.43, BA.1, B.1.617.2, BA.1.1, AY.9.2, AY.4, P.1 and AY.126. Time-resolved phylogenetic analyses showed the occurrence of virus clades as determined worldwide, but with a substantial delay of one to two months. Further spatio-temporal phylogenetic analyses revealed a regional outbreak of a Gamma variant limited to western M-V counties. Finally, KMC elucidated a successive introduction of the various virus lineages into M-V, possibly triggered by vacation periods with increased (inter-) national travel activities. The COVID-19 pandemic in M-V was shaped by a combination of several SARS-CoV-2 introductions, lockdown measures, restrictive quarantine of patients and the lineage specific replication rate. Complementing global and national surveillance, regional surveillance adds value by providing a higher level of surveillance resolution tailored to local health authorities.
DOI: 10.5281/zenodo.8206060
title: Tiny ImageNet-C (Fixed)

description: Upload of the corrupted version of Tiny ImageNet (also known as ImageNet-200) with fixed frost-corrupted samples (see https://github.com/hendrycks/robustness/issues/60). This version can be downloaded on a server (for instance using TorchUncertainty) and is safer than the original mirror on berkeley connect (that may soon be deleted). Original work by Dan Hendrycks & Thomas Dietterich under the Apache-2.0 license. If you consider this dataset useful, please cite: <pre><code>@article{hendrycks2019robustness, title={Benchmarking Neural Network Robustness to Common Corruptions and Perturbations}, author={Dan Hendrycks and Thomas Dietterich}, journal={Proceedings of the International Conference on Learning Representations}, year={2019} }</code></pre>
description: I am not the author of this dataset, yet, it is released under Apache-2.0 license that allows its distribution. The Apache 2.0 license is most likely under Dan Hendrycks and Thomas Dietterich's names (but it has not been completed on GitHub). Please, do not use the citation provided by Zenodo, but the one above.
DOI: 10.5281/zenodo.8206059
title: Tiny ImageNet-C (Fixed)

description: Upload of the corrupted version of Tiny ImageNet (also known as ImageNet-200) with fixed frost-corrupted samples (see https://github.com/hendrycks/robustness/issues/60). This version can be downloaded on a server (for instance using TorchUncertainty) and is safer than the original mirror on berkeley connect (that may soon be deleted). Original work by Dan Hendrycks & Thomas Dietterich under the Apache-2.0 license. If you consider this dataset useful, please cite: <pre><code>@article{hendrycks2019robustness, title={Benchmarking Neural Network Robustness to Common Corruptions and Perturbations}, author={Dan Hendrycks and Thomas Dietterich}, journal={Proceedings of the International Conference on Learning Representations}, year={2019} }</code></pre>
description: I am not the author of this dataset, yet, it is released under Apache-2.0 license that allows its distribution. The Apache 2.0 license is most likely under Dan Hendrycks and Thomas Dietterich's names (but it has not been completed on GitHub). Please, do not use the citation provided by Zenodo, but the one above.
DOI: 10.5281/zenodo.8274251
title: notMNIST

description: The notMNIST dataset by Yaroslav Bulatov. See https://yaroslavvb.blogspot.com/2011/09/notmnist-dataset.html for more information.
description: I am not the author of this dataset, which is not licensed (but subject to rights at least in Europe). Please, do not use the citation provided by Zenodo, but cite the original author.
DOI: 10.6084/m9.figshare.24010383
title: Research Proposal - Group 7 (updated).

description: The document contains the research proposal in Microsoft Word format.
DOI: 10.5517/ccdc.csd.cc2fzcng
title: CCDC 2263516: Experimental Crystal Structure Determination

description: Related Article: Yi-Ping Qu, Xin-Da Huang, Kui Xu, Song-Song Bao, Li-Min Zheng|2023|Dalton Trans.|52|10489|doi:10.1039/D3DT01542D
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.cc2fzcph
title: CCDC 2263517: Experimental Crystal Structure Determination

description: Related Article: Yi-Ping Qu, Xin-Da Huang, Kui Xu, Song-Song Bao, Li-Min Zheng|2023|Dalton Trans.|52|10489|doi:10.1039/D3DT01542D
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.cc2fzcqj
title: CCDC 2263518: Experimental Crystal Structure Determination

description: Related Article: Yi-Ping Qu, Xin-Da Huang, Kui Xu, Song-Song Bao, Li-Min Zheng|2023|Dalton Trans.|52|10489|doi:10.1039/D3DT01542D
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.