cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/sn6gjp99td
title: GPU-accelerated solutions of the nonlinear Schrödinger equation for simulating 2D spinor BECs

description: As a first approximation beyond linearity, the nonlinear Schrödinger equation (NLSE) reliably describes a broad class of physical systems. Though numerical solutions of this model are well-established, these methods can be computationally complex. In this paper, we showcase a code development approach, demonstrating how computational time can be significantly reduced with readily available graphics processing unit (GPU) hardware and a straightforward code migration using open-source libraries. This process shows how CPU computations with power-law scaling in computation time with grid size can be made linear using GPUs. As a specific case study, we investigate the Gross-Pitaevskii equation, a specific version of the nonlinear Schrödinger model, as it describes in two dimensions a trapped, interacting, two-component Bose-Einstein condensate (BEC) subject to a spatially dependent interspin coupling, resulting in an analog to a spin-Hall system. This computational approach lets us probe high-resolution spatial features – revealing an interaction-dependent phase transition – all in a reasonable amount of time. Our computational approach is particularly relevant for research groups looking to easily accelerate straightforward numerical simulation of physical phenomena.
DOI: 10.17632/y79c4hpfdc
title: A Dataset of Mass Timber and Hybrid Mass Timber Floor Structure Designs, Including Sizing, Self-Weight, and Embodied Carbon Data

description: The design of mass timber structures affects performance outcomes such as embodied carbon (EC), floor system depth, and self-weight. To better understand the relationships between design decisions and performance outcomes, a parametric modeling approach was followed to generate a dataset for five mass timber and hybrid mass timber structural floor system types. The model consists of both a Grasshopper model interfaced with Rhino and a spreadsheet-based model, which are used to generate, size, and evaluate structural floor system designs for system depth, self-weight, and EC. The Grasshopper model is used to generate designs and perform structural sizing of the floor system elements. The spreadsheet model is used to calculate self-weight of the components of each design from the element sizing outputs. Self-weight is multiplied by each material's EC factor to estimate the total EC of the design. The modeling process and resulting dataset are part of a larger research effort to develop early-stage design guidance for practitioners. The dataset may be used by others to study trends amongst design objectives for mass timber floors, or to extract the structural element sizing data for use with customized project-specific EC data.

Two files are provided. The csv file includes only the final data values based on set assumed material EC factors. The xlsx file includes a tab which allows the user to enter custom material EC factors. The data tab automatically re-calculates the EC values for each design based on the user-entered material factors. A "Read Me" tab includes additional information and instructions for how the spreadsheet may be modified. Only blue cells in the "Material EC" tab should be edited. The xlsx file also maintains the original formulas used in post-processing additional design data following the design sizing output from the Grasshopper model. After customizing material EC factors in the xlsx file, it is recommended that a copy of the "Data" tab be saved as a csv file to reduce the file size to a more manageable size.
DOI: 10.17632/z4b439psmn
title: Reconstruction and future projection of daily flow rate of the glacial Careser stream in the southern Alps

description: This dataset contains the reconstructed melting season time series of the daily flow rate of the Careser stream (Trento, Italy) at the Careser Baia gauging station, from May to October, for the period 1976 - 2019. The file named Flowrate_summer_DNNprediction.csv contains the measured flowrate, Q (m3 s-1), and the modeled flowrate by the Dense feed-forward Neural Network (DNN), Qpred NN(m3 s-1), used to fill the gaps in the flowrate time series. The remaining columns show the input information employed in the DNN model: the daily precipitation, P (mm), partitioned into the liquid, Pliq (mm) and solid Psol (mm) components, the mean, minimum and maximum air temperature averaged across the surface of the glacier (Tmean (°C), Tmin (°C) and Tmax (°C)), the ablation volume of the glacier for that specific year (Volume_lost (m3)); and time of the measurement (year, month and julian day). The two additional files (yearly_area_rcp45.csv and yearly_flowrate_rcp45.csv) contain the evolution of the glacier area (m2) and summer mean flow rate (m3 s-1) under the RCP 4.5 climatic scenario. The second column of these files reports the historical values of area and flow rate, respectively. The third column shows the 9-year moving average of this latter variable. The following 24 columns show future projections of area and flow rate respectively with the combinations of the eight EURO-CORDEX models considering three different models of summer ablation, corresponding to the linear regression of the measured ablation with the mean air temperature and the shift of ± the standard deviation, in order to evaluate the uncertainty of the projections. Details on the modeling approach and the discussion of the results are provided in the following paper: https://doi.org/10.1016/j.jhydrol.2023.130316
DOI: 10.6084/m9.figshare.1373928.v1
title: Previsão de demanda em uma empresa farmacêutica de manipulação

description: A farmácia de manipulação é um estabelecimento comercial que fabrica e vende medicamentos e produtos de fabricação própria. Para o processo de preparação e fabricação dos produtos, é necessária a atuação de profissionais qualificados na área, oferecendo assistência farmacêutica, de modo que sua qualidade seja garantida e suas fórmulas sejam eficazes. Nesse contexto, o ambiente escolhido para análise foi uma farmácia que fabrica seus próprios cosméticos para venda, onde se buscou prever a demanda da produção de produtos cosméticos da mesma e, consequentemente, a escolha do melhor modelo de previsão para o caso. Os dados (ano de 2012, 2013 e os 4 primeiros meses de 2014) referentes à demanda foram coletados a partir de uma entrevista realizada com a proprietária do estabelecimento. Assim, após observações e cálculos, optou-se por utilizar o modelo de Média Móvel Exponencial e observou-se que todos os erros calculados ficaram dento dos limites de controle, tornando o estudo válido e comprovando a eficácia dos métodos de previsão escolhidos. Portanto, é importante para as empresas, que seja feito esse tipo de trabalho, para que assim suas decisões sejam embasadas em números consistentes que refletem a sua realidade.
DOI: 10.6084/m9.figshare.1579435.v1
title: segmented images

description: Algorithm Based on Three-Dimensional Region Growing Positron Emission Tomography-Computed Tomography Image Sequences of Pulmonary Nodule Segmentation segmented images
DOI: 10.6084/m9.figshare.19386194.v2
title: Transcriptome_COVID19_Cytokine_Mathmodel.xlsx

description: Excel file containing raw transcriptomics data of nasal biopsies from COVID19 infected patients
DOI: 10.6084/m9.figshare.19494818.v1
title: Dataset S1.txt

description: This dataset was used for the paper: "Forest structure and composition alleviate human thermal stress". Full methodological details are found in the paper and its appendix.
DOI: 10.17632/8mttp4pvmc
title: Non-Hemolytic and Non-Toxic AMPs from Cephalopods' Posterior Salivary Glands: Singular Set and Sets with Similarity to Characterised AMPs

description: The datasets presented here are the result of a comprehensive comparison involving 68,694 non-hemolytic and non-toxic Antimicrobial Peptides (AMPs) extracted from the posterior salivary glands of Cephalopods (doi: 10.17632/htntmccyd4.1). The comparison was made against characterized AMPs registered in the StarPep database (http://mobiosd-hub.com/starpep/) Dataset Structure: The provided datasets, available in FASTA file format, are structured as follows: 1. Singular NoHemNoTox AMPs (5,466): AMPs from cephalopods that are non-hemolytic and non-toxic, exhibiting less than 40% sequence identity with members in the StarPep database. 2. NoHemNoTox AMPs_SimHigher40 (63,228): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing more than 40% sequence identity with members in the StarPep database. 3. NoHemNoTox AMPs_Sim40-50 (26,744): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing 40-50% sequence identity with members in the StarPep database. 4. NoHemNoTox AMPs_Sim50-60 (30,217): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing 50-60% sequence identity with members in the StarPep database. 5. NoHemNoTox AMPs_Sim60-70 (5,716): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing 60-70% sequence identity with members in the StarPep database. 6. NoHemNoTox AMPs_Sim70-80 (453): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing 70-80% sequence identity with members in the StarPep database. 7. NoHemNoTox AMPs_SimHigher80 (98): AMPs from cephalopods that are non-hemolytic and non-toxic, sharing more than 80% sequence identity with members in the StarPep database. These datasets provide a valuable resource for screening purposes as part of the peptide drugs discovery, especially considering their similarities to the known chemical space (characterized AMPs in the StarPep database).
DOI: 10.6084/m9.figshare.27969414.v2
title: Supplementary information

description: Supplementary tables for the manuscript "Discovery and Validation of Frameshift-Derived Neopeptides in Lynch Syndrome: Paving the Way for Novel Cancer Prevention Strategies".
DOI: 10.17632/487gf74mgh
title: Ph3pyWF: An automated workflow software package for ceramic lattice thermal conductivity calculation

description: This paper introduces Ph3pyWF, a Python software package we designed to facilitate high-throughput analysis of lattice thermal conductivity in ceramic materials. The user interface caters to individuals with varying expertise, accommodating both novices and experts in the field. For beginners, only the initial structure file is required as input, as the software automatically populates other necessary parameters. Advanced users can customize numerous procedure parameters to suit their specific research needs. At its core, Ph3pyWF aims to establish an efficient data exchange and task management system. This paper elucidates the design details of the software package and presents several examples of its application to oxide ceramics, showcasing its general applicability and practicality in the analysis of lattice thermal conductivity.
DOI: 10.17632/ctkh2zy6s3
title: DAST scanning sessions dataset

description: This dataset consists of network flow features generated by the tool CICFlowMeter on network captures collected at the University of Belgrade, School of Electrical Engineering. The samples include scanning sessions of 4 DAST tools - Nikto, Vega, OWASP ZAP and Arachni targeted at the OWASP WebGoat application. DAST tools were installed on one virtual machine, while the target was placed on another, with all traffic being routed through a third machine which captured it using the tcpdump utility. For each of the scanners one session was captured, except Arachni, whose scanning phase was divided into 3 sessions. After processing the .pcap files with CICFlowMeter, the output for each of the sessions was split randomly into training, validation and test sets in 60:20:20 ratio, respectively.  In addition to the scanning, OWASP ZAP and Vega offer built-in proxy servers for HTTP traffic examination. Interactions of these utilities and Webgoat application were also captured and are present in the dast proxies folder. Finally, in shortened flows, for each of the the scanning sessions, a subset of flows was pruned to 10, 15, 20, 25 and 50 packets. Features were extracted using CICFlowMeter once again, to allow for analysis of flow statistics at different points in time
DOI: 10.17632/g8gkmk8cwg
title: Towards a processing model for argument-verb computations  in online sentence comprehension

description: Experiment materials, a pre-processing script, and processed ERP data are available in the folder. For more information, please feel free to contact me.
DOI: 10.6084/m9.figshare.27100381.v1
title: Population by regions for the year 2023

description: Overview of population by regions with percentage distribution for the year 2023
DOI: 10.6084/m9.figshare.28768793.v1
title: Data and scripts for figures in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2025).

description: The zip file contains the following: 1) Paper_Figures_Intermittency.py and .ipynb (Jupyter notebook), which are the scripts used to make Figures 2-4 in Benavides <i>et al</i>. "Intermittent grain activity from grain-scale collective entrainment rules" (2025).2) 'Data' directory, which includes (i) full data sets for three runs at (Nx,Ny) = (200,1000), specifically for N_in = 60,100, and 300; (ii) the skewness of the grain activity time series for all runs ('skewness_all_Nys.npy'), (iii) bed and entrainment fields for a small sample run used in Figure 2.3) 'PDE_model_data' directory which includes (i) 'cont_model.py', a python script used to evolve the 1D PDE derived in the paper, (ii) full model results for a series of runs of the 1D PDE used in Figure 4 of the paper.4) 'model.py', the lattice model script used in the simulations. However, it is better to use the resources at https://doi.org/10.5281/zenodo.15182885 for learning how to run the model.
DOI: 10.17632/znswj36y9p
title: Data for: Microscale mechanical property of shock melt veins and their impact on planetary rocks

description: HaH 346 meteorite samples with shock melt veins are tested using the nanoindentation experiment with Berkovich indenter. The data includes the Young’s modulus of different rock-forming minerals in HaH 346 meteorites measured by nanoindentation test.
DOI: 10.6084/m9.figshare.26085940.v1
title: Random forest variable importance

description: Two random forest algorithms to train and test feature importance of temporal, environmental, and soil physiochemical properties on CO<sub>2</sub><sub> </sub>flux from mangrove soils in the Red Sea under 12 hours of incubation in light conditions and, separately, under 12 hours of incubation in dark conditions. Soil properties were measured with separate soil cores collected immediately adjacent to the incubated cores. 4 replicate cores were collected each month and CO<sub>2</sub> flux measured by G2201-i CRDS analyser (Picarro, Santa Clara, California USA). The random forest models were built in Python v.3.9.13 and Jupyter Notebook v.6.4.12 using the RandomForestRegressor from the SciKit-Learn package v.1.0.2. Using the datasets uploaded, 80% of data was randomly selected and used for training, with the remaining 20% used for validation. To improve model performance, hyperparameter tuning was used to maximize the R<sup>2</sup> metric and 5-fold cross-validation used to assess how the model generalizes to unseen data and reduces the risk of overfitting. Subsequently, a baseline accuracy threshold was defined for feature selection, where R<sup>2</sup> ≥ 0.6 and the average 5-fold cross-validation (CV) score ≥ 0.4. Backward elimination of variables based on these performance metrics was systematically performed to maximise the number of variables included within each model without sacrificing model performance to ensure the maximum predictive power running ~120,000 model iterations. These models were used to map feature importance of the variables retained from the feature selection stage.These models were used to present the results in: J Breavington, A Steckbauer, C Fu, M Ennasri, and CM. Duarte. 'Dynamics of CO2 and CH4 fluxes in Red Sea mangrove soils'.
DOI: 10.6084/m9.figshare.7272833.v1
title: YUV input PCA dataset for coverages

description: Each column represents a vector of 7680 elements that were obtained from the calculation of 20 PCA, for each YUV color matrix , to the image dataset
DOI: 10.17632/s82t78sk5m
title: Mitochondrial DNA editing in potato

description: The aim of this study was to evaluate and characterize mutations induced by targeted base editing through DddA cytidine deaminase (mitoTALECD) and transcription activator-like effector nucleases (mitoTALEN) in the potato mitochondrial genome. The dataset includes Sanger sequencing of PCR products generated by amplifying the mitoTALECD and mitoTALEN target sequence (orf125) in the potato mitochondrial genome, for 21 (D1) and 22 (D2) mitoTALECD independent lines and for 3 (T1) and 5 (T2) mitoTALEN independent lines.
DOI: 10.6084/m9.figshare.14182766.v2
title: Allen Institute OFS - Example Meshes

description: Mesh files for two excitatory Layer 2/3 pyramidal neuron from the public dataset found at microns-explorer.org
DOI: 10.6084/m9.figshare.20247459.v2
title: Bioengineered Soybean qPCR data

description: Analysis of transgene expression in lines of soybean (Glycine max var. Maverick) transformed with the construct pEG301+RZGPFV. Data collected from field trials at the University of Illinois at Urbana Champaign in 2020 and 2021 <br>
DOI: 10.6084/m9.figshare.20453802.v2
title: Summary Statistics of RNA-seq Alignment

description: Summary Statistics of RNA-seq Alignment <br> RNA-seq mapped to a human reference genome (hg38) using STAR alignment tools. The summary showed Number of input reads, Uniquely mapped reads number, and Uniquely mapped reads rate (%).
DOI: 10.17632/g3nf3k426t
title: 1H/13C chemical shifts and cation binding dataset of the corticosteroid Prednisolone titrated with metal cations

description: 1H and 13C NMR spectra for the titration of Prednisolone with Magnesium, Calcium, Cobalt (II) and Nickel (II)
DOI: 10.17632/rr9cd5pvtd
title: Data for: Extending Unified Theory of Acceptance and Use of Technology with Perceived Monetary Value for smartphone adoption at the Bottom of the Pyramid

description: Primary Data collected offline
DOI: 10.17632/zwknwyy72m
title: Data for: Distributed and Centralized Autonomous DC Microgrid for Residential Buildings: A Case Study

description: 1. Power generation of the Photovoltaic Power plant of the 5 homes (Residential Buildings) 2. Power consumption of the 5 homes (Residential Buildings) 3. Power curve (Charging and Discharging power) of batteries mounted in the 5 homes (Residential Buildings) 4. Power curve (Charging and Discharging power) of the centralised battery bank in the autonomous DC microgrids system of 5 homes (Residential Buildings)
DOI: 10.6084/m9.figshare.12841559.v1
title: GTDB-Tk Bacteria tree (phyloXML format)

description: Non-collapsed GTDB-tk bacterial tree used to generate Fig. 4. An annotated version of the tree showing estimated completion, contamination, normalized MAG read coverage and ESOM curation status is available on iTOL at http://itol.embl.de/shared/alrlab. Completion and contamination were estimated using CheckM. Normalized MAG read coverage was calculated based on reads mapped back to medium- to high-quality MAGs prior to ESOM curation.* Curated with ESOM<br>
DOI: 10.6084/m9.figshare.7765316.v4
title: Competitions

description: If you use these data cite the following paper: <br><br>- Pappalardo et al., (2019) <b>A public data set of spatio-temporal match events in soccer competitions</b>, Nature Scientific Data 6:236, https://www.nature.com/articles/s41597-019-0247-7<br><br><br>This dataset describes seven major soccer competitions (Italian, Spanish, German, French, English first divisions, World cup 2018, European cup 2016). Each competition is a document consisting of the following fields: <br><br><b>area</b>: it denotes the geographic area associated with the league as a sub-document, using the ISO 3166-1 specification (https://www.iso.org/iso-3166-country-codes.html);<br><b>format</b>: the format of the competition. All competitions for clubs have value "Domestic league". The competitions for national teams have value "International cup";<br>- <b>name</b>: the official name of the competition (e.g., Italian first division, Spanish first division, World Cup, etc.);<br>- <b>type</b>: the typology of the competition. It is "club" for the competitions for clubs and "international" for the competitions for national teams (World Cup 2018, European Cup 2016);<br>- <b>wyId</b>: the unique identifier of the competition, assigned by Wyscout.
DOI: 10.17632/mbmzpbfxdz
title: An optimized Vofi library to initialize the volume fraction field

description: The Vofi (Volume Of Fluid Initializer) library has been developed to initialize the volume fraction field determined by implicitly-defined interfaces. The major conceptual changes in the numerical algorithms of the library are discussed and a few new features, including the computation of the reference phase centroid and of the interface length/area, are presented and applied to grid cells that are cuboids. Several numerical tests are considered to demonstrate both the accuracy of the new features, as the grid resolution and the number of integration points are varied, and the considerably improved efficiency of the library with respect to its previous version. A few of these tests are also included in the software distribution written in C, examples of C++ and Fortran interfaces are also provided.

The previous version of this program (AEYT_v1_0) may be found here https://doi.org/10.1016/j.cpc.2015.10.026.
DOI: 10.17632/mknbcr9jy3
title: Safe Fall Recovery

description: This data set is associated with the manuscript titled:Development and Implementation of Safe Fall Recovery Education for Older Adults
DOI: 10.17632/rfbp7xchn9
title: Sustainable Leadership Research Dataset (1998-2019)

description: The Sustainable leadership research & publication dataset, which was indexed by Scopus from 1998 to 2019. The dataset contains data authors, authors ID Scopus, title, year, source title, volume, issue, article number in Scopus, DOI, link, affiliation, abstract, index keywords, references, Correspondence Address, editors, publisher, conference name, conference date, conference code, ISSN, language, document type, access type, and EID.
DOI: 10.6084/m9.figshare.22361599.v1
title: 2023 February crypto currency survey

description: For the second time, we surveyed a group of students about their acceptance of nfts. <br> See https://figshare.com/articles/dataset/2021_November_crypto_currency_survey_pdf/21300027 for the first round