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295
datasets available to search
ShareScore release 0.9.0
Dataset results
295 results for “Structure prediction”
TBAQ, TCAQ and TBQ1-5 structures predicted at the BMK/6-31G(d,p) (+PCM) level of theory
<p>This dataset contains the BMK/6-31G(d,p) structures of possible conformers for TBAQ and TCAQ and the structures of the TBQ1-5 dimers in CH2Cl2, using the PCM solvation model</p>
Dataset: Bridging Time-series Image Phenotyping and Functional-Structural Plant Modeling to Predict Adventitious Root System Architecture
<p>Dataset for Bridging Time-series Image Phenotyping and Functional-Structural Plant Modeling to Predict Adventitious Root System Architecture manuscript submitted to Plant Phenomics. The dataset contains raw and processed root architecture images, RhizoVision trait outputs, and the associated R scripts for statistical analysis and model parameterization.</p>
Gene structure prediction results and execution commands and options by GINGER and similar tools
<p>Gene structure prediction results, execution commands, and options by GINGER and similar tools</p> <ul> <li>genome.tar.gz ... genome sequence data used for benchmark test in the paper. </li> <li>input_of_EVM.tar.gz ... input dataset for EVM</li> <li>input_of_GINGER.tar.gz ... input dataset for GINGER</li> <li>input_of_MAKER.tar.gz ... input dataset for MAKER</li> <li>reference_annotation.tar.gz ... gff data used for benchmark test in the paper.</li> <li>result_of_EVM.tar.gz .... results and stats information of EVM (including intermediate result file of <em>C.elegans</em>, <em>D. melanogaster</em>, <em>O. sativa</em>, <em>D. rerio</em>, and <em>H. sapiens</em>)</li> <li>result_of_GINGER.tar.gz .... results and stats information of GINGER (including intermediate result files of <em>C.elegans</em>)</li> <li>result_of_MAKER.tar.gz .... results and stats information of MAKER (including intermediate result files of <em>C.elegans</em>)</li> </ul>
Natural products structure database LOTUS supplemented with predicted 13C NMR chemical shifts.
<p>A structure database of natural products in SDF format was created from <a href="https://zenodo.org/record/6582124">the LOTUS database version 9</a> .</p> <p>This database is intended to facilitate the <a href="https://www.mdpi.com/1420-3049/26/3/637">dereplication of natural products</a>.</p> <p>The LOTUS database was described in <a href="https://elifesciences.org/articles/70780">this publication</a> (free download).</p> <p>File 220916_frozen_metadata.csv was downloaded from <a href="https://zenodo.org/record/7085063">the LOTUS database version 9</a> and the SMILES chains of the compounds were collected.</p> <p>The SMILES chains were translated to 2D chemical structures using python scripts relying on the <a href="https://github.com/rdkit/rdkit">RDKit</a> library.</p> <p>Each compound was associated to predicted <sup>13</sup>C NMR chemical shifts by means of an already reported <a href="https://www.mdpi.com/2673-4532/2/3/6">procedure</a> (free download).</p> <p>Each compound was also supplemented with metadata from file 220916_frozen_metadata.csv .</p> <p>Archive file acd_lotusv9.sdf.zip contains acd_lotusv9.sdf with 218,478 compound descriptions inside.</p> <p>Archive file acd_lotusv9.NMRUDB.zip is a compressed version of acd_lotusv9.NMRUDB, itself created by importation of file acd_lotusv9.sdf in an ACD/Labs database file (new with version 0.0.4).</p> <p>The description of the first compound was copied in file firstmolv9.sdf and is provided for a quick inspection of the database content.</p> <p>The title line in firstmolv9.sdf is Q43656_2, meaning that more data about this compound may be found by searching in <a href="https://www.wikidata.org/">Wikidata</a> for Q43656 and that the initial data was given by line 2 in file 220916_frozen_metadata.csv .</p> <p>Files acd_lotusv9.sdf acd_lotusv9.NMRUDB contain biological taxonomy data from file 220916_frozen_metadata.csv that were not exploited in acd_lotusv7. Sub-files dealing with a particular taxon can be easily produced now.</p> <p>Chemical shift calculations for <sup>13</sup>C nuclei using the HOSE code approach are available <a href="https://zenodo.org/record/7047760">here</a> for the compounds in acd_lotusv7.</p> <p> </p>
Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutation at the protein universe scale
<p>Pythia computed all single mutations of <em>E.coli</em> proteome, high quality high quality of Swiss-Prot structures and thermophilic proteins used in analysis.</p>
A3D database: structure-based predictions of protein aggregation for the human proteome
<p>A3D database: structure-based predictions of protein aggregation for the human proteome</p>
EvaluAtion of Predictive Value of Multisite Intracardiac EchoCardiography During Imaging of Structure and funCTION of Left Atrial Appendage in Comparison to Transesophageal Echocardiography
ClinicalTrials.gov study NCT01371279. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Prediction of Risk of Vascular Structural Damage in Patients With Large Vessel Vasculitis (LVV) Based on PET/MRA Image Evaluation System
ClinicalTrials.gov study NCT06824714. IPD Sharing: UNDECIDED. Countries: 1. Publications: 2.
Geographic drivers more important than landscape composition in predicting bee beta diversity and community structure
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Data from: The 5S rDNA gene family in mollusks: characterization of transcriptional regulatory regions, prediction of secondary structures, and long-term evolution, with special attention to Mytilidae mussels
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Data from: Accounting for interspecific competition and age structure in demographic analyses of density dependence improves predictions of fluctuations in population size
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Data from: Environmental gradients predict the genetic population structure of a coral reef fish in the Red Sea
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Invertebrate community structure predicts natural pest control resilience to insecticide exposure
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Data from: Species traits and abundances predict metrics of plant–pollinator network structure, but not pairwise interactions
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Data from: Community structure of a Neotropical bat fauna as revealed by stable isotope analysis: Not all species fit neatly into predicted guilds
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Adjacency matrices and nodal attributes for prestige and homophily predict network structure for social learning of medicinal plant knowledge
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Neutrophil-mediated oxidative stress and albumin structural damage predict COVID-19-associated mortality
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Data from: River network architecture, genetic effective size and distributional patterns predict differences in genetic structure across species in a dryland stream fish community
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Data from: Predicting community structure in snakes on Eastern Nearctic islands using ecological neutral theory and phylogenetic methods
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Data for: Biogeographic history predicts bee community structure across floral resource gradients in southeast Australia
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ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.