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421 results for “Polymer”
Dataset for 'Chaperone Solvent Assisted Assembly of Polymers at the Interface of Two Immiscible Liquids'
<p><span>The authors acknowledge financial support from the Research Grants Council of Hong Kong (Project No.21304421), the National Natural Science Foundation of China (Project No. 22003053), the Natural Science Foundation of Guangdong Province, China (Project No. 2023A1515011457),</span><span> </span><span>the Natural Science Foundation of Sichuan Province, China (Project No. 2023NSFSC0312), CityU Strategic Interdisciplinary Research Grant (Project No. 2020SIRG035), and</span><span> Hong Kong Institute for Advanced Study. The authors also thank OpenAI for editing.</span></p>
A multimodal data-set of a unidirectional glass fibre reinforced polymer composite
<p>Please cite the following article when using the data-sets hereby shared:</p> <p>Emerson, M.J., Dahl, V.A., Conradsen, K., Mikkelsen, L.P. and Dahl, A.B., 2018. A multimodal data-set of a unidirectional glass fibre reinforced polymer composite. <em>Data in brief</em>, <em>18</em>, pp.1388-1393.</p> <p>These data-sets were used for validating the use of X-ray tomography and our dictionary-based probabilistic method for detection of individual fibres, for more information see the following article:</p> <p>Emerson, M.J., Dahl, V.A., Conradsen, K., Mikkelsen, L.P. and Dahl, A.B., 2018. Statistical validation of individual fibre segmentation from tomograms and microscopy. <em>Composites Science and Technology</em>, <em>160</em>, pp.208-215.</p>
TGA data for the manuscript "Synergistic fire-retardancy properties of melamine coated ammonium poly(phosphate) in combination with rod-like mineral filler attapulgite for polymer-modified bitumen roofing membranes"
<p>The file "SynergisticFireRetardencyPaper_data" containns the raw data and data tretment used in the manuscript<br> "Synergistic fire-retardancy properties of melamine coated ammonium poly(phosphate) in combination with rod-like mineral filler attapulgite for polymer-modified bitumen roofing membranes" for the the TGA part of the work.<br> The file "TGA_Data_and_Data_treatment.xls" contains the TGA raw data used in the manuscript and the recaluclation to a common temperature scale. The file "TGA_plots_20180611.opju" caontian the contruction of the plots shown in the paper.</p> <p> </p>
Use of Nanoclays as Alternatives of Polymers Toward Improving Performance of Asphalt Binders
<p>Corresponding data set for Tran-SET Project No. 17BASU01. Abstract of the final report is stated below for reference:</p> <p>"The main goal of this study is to assess the feasibility of the use of nanoclay as an alternative to commonly used polymers such as styrene-butadiene-styrene (SBS), which are used to modify the performance grade (PG) of asphalt binders. Three types of nanoclay and two types of neat binders were selected for laboratory investigation. Different amounts (1, 2, and 3%) of nanoclays were used. A blending protocol has been developed to mix the nanoclay with the asphalt binder. Rotational Viscosity (RV), Dynamic Shear Rheometer (DSR), Optical Contact Analyzer (OCA) and Atomic Force Microscope (AFM) were conducted to evaluate the properties of modified asphalt binders. Significant increases of viscosity and complex shear modulus were observed for nanoclay-modified binders because of nanoclay’s nanoscale phenomena such as structural features, quantum effects, spatial confinement, high surface energy, and a large fraction of surface atoms. The maximum rutting resistance is expected for binders modified with the 1% Cloisite 11B. The OCA test results suggest that the modified asphalt binders possess higher surface free energy than the neat binder. Therefore, cohesive energy which is an indicator of moisture damage was increased for modified binders. From the AFM analysis, adhesion and deformation values decreased for modified asphalt binders. The minimum adhesion and deformation values were found for asphalt binder samples modified with the 1% Cloisite 10A."</p>
A collection of spectral descriptors for the detection of five polymer types
<p>This set of spectral descriptors was designed for the purpose of detecting the polymers polyethylene (PE), polypropylene (PP), polystyrene (PS), polyacrylonitrile (PAN) and poly(methyl methacrylate) (PMMA).</p> <p>The descriptors can be applied to hyperspectral image datasets using the software tool <a href="http://imagelab.at">Epina ImageLab</a>.</p>
Figure 2 in High Efficiency All-Polymer Solar Cells
Figure 2. – Desmodema polystictum, 14.8 cm total length, caught off Lakshadweep waters.
Lipid-polymer nanoparticles to probe the native-like environment of intra-membrane rhomboid protease GlpG and its activity
<p><span>Polymers can facilitate detergent-free extraction of membrane proteins into nanodiscs (e.g., SMALPs, DIBMALPs), incorporating both integral membrane proteins as well as co-extracted native membrane lipids. Lipid-only SMALPs and DIBMALPs have been shown to possess a unique property; the ability to exchange lipids through ‘collisional lipid mixing’<em>.</em> Here we expand upon this mixing to include protein-containing DIBMALPs, using the rhomboid protease GlpG. Through lipidomic analysis before and after incubation with DMPC or POPC DIBMALPs, we show that lipids are rapidly exchanged between protein and lipid-only DIBMALPs, and can be used to identify bound or associated lipids through ‘washing-in’ exogenous lipids. Additionally, through the requirement of rhomboid proteases to cleave intra-membrane substrates, we show that this mixing can be performed for two protein-containing DIBMALP populations, assessing the native function of intramembrane proteolysis and demonstrating that this mixing has no deleterious effects on protein stability or structure</span></p>
Mechanochemical generation of nitrogen-centred radicals for the formation of tertiary amines in polymers
<p>Underpinning data of manuscript and Supplementary Information sorted after Figures and Tables.</p>
Accurate Determination of the Uniaxial Complex Refractive Index and the Optical Band Gap of Polymer Thin Films to Correlate their Absorption Strength and Onset of Absorption
<p>The uploaded datasets contain complex refractive indices of polymer thin films and a glass substrate and are published in connection with the following article:</p> <p>Kamptner, Scharber, Schiek.<br>Accurate Determination of the Uniaxial Complex Refractive Index and the Optical Band Gap of Polymer Thin Films to Correlate their Absorption Strength and Onset of Absorption.<br>ChemPhysChem 2024.</p> <p><a href="https://doi.org/10.1002/cphc.202400233">https://doi.org/10.1002/cphc.202400233</a></p> <p> </p> <p><strong>F8BT</strong> (or PFBT): Poly(9,9-dioctylfluorene-alt-benzothiadiazole).</p> <p><strong>MDMO-PPV</strong> (or OC1C10-PPV): Poly-[2-(3,7-dimethyloctyloxy)-5-methyloxy]-para-phenylene-vinylene.</p> <p><strong>PBDB-T-2F</strong> (or PBDB-T-F, PBDB-TF, PM6): Poly[(2,6-(4,8-bis(5-(2-ethylhexyl-3-fluoro)thiophen-2-yl)-benzo[1,2-b:4,5-b’]dithiophene))-alt-(5,5-(1’,3’-di-2-thienyl-5’,7’-bis(2-ethylhexyl)benzo[1’,2’-c:4’,5’-c’]dithiophene-4,8-dione)].</p> <p><strong>PDCBT</strong>: Poly[2,2''''-bis[[(2-butyloctyl)oxy]carbonyl][2,2':5',2'':5'',2'''-quaterthiophene] -5,5'''-diyl].</p> <p><strong>PTB7</strong>: Poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]].</p> <p><strong>ZZ50</strong> (or c-PCPDTBT): Poly[2,6-(4,4-bis-(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']dithiophene)-alt-4,7(2,1,3-benzothiadiazole)].</p> <p><strong>float glass</strong> objective slide (Marienfeld) "tin" and "air" side.</p>
Reports and Dataset of SUPRAMOLECULAR POLYMERS AS MOULDS FOR THE SYNTHESIS OF CHIRAL PLASMONIC NANOPARTICLES
<p>This dataset contains some research data on supramolecular polymers as templates for the synthesis of chiral plasmonic nanoparticles. Project PID2020-117885GA-I00, especifically the more related to the use of cysteine and cystine. </p>
Data for the publication: Advancing Reversible Magnesium−Sulfur Batteries with a Self-Standing Gel Polymer Electrolyte
<p>This is a collection featuring the data generated and used within the paper: "Advancing Reversible Magnesium−Sulfur Batteries with a Self-Standing Gel Polymer Electrolyte"</p>
Supplemental Material to Journal Article "Probabilistic Approach for the Fatigue Strength Prediction of Polymers"
<p>This set supplements the figure and table data to the article "Probabilistic Approach for the Fatigue Strength Prediction of Polymers", DOI: <a href="https://doi.org/10.2514/1.J060444">https://doi.org/10.2514/1.J060444</a></p> <p>The Python code to reproduce the results shown in the article is released as v1.0 of the MAMO toolbox for material models DOI:</p> <p>The latest code development can be cloned at <a href="https://github.com/mrosemeier/mamo">https://github.com/mrosemeier/mamo</a>.</p> <p> </p>
Plasticization of a Semicrystalline Metallosupramolecular Polymer Network
<p>Data set divided in folders according to the Figures in the manuscript and supporting information</p>
Polymer nanoparticles pass the plant interface
<p>As agriculture strives to feed an ever-increasing number of people, it must also adapt to increasing exposure to minute plastic particles. To learn about the accumulation of nanoplastics by plants, we prepared well-defined block copolymer nanoparticles by aqueous dispersion polymerisation. A fluorophore was incorporated via hydrazone formation and uptake into roots and protoplasts of Arabidopsis thaliana was investigated using confocal microscopy. Here we show that uptake is inversely proportional to nanoparticle size. Positively charged particles accumulate around root surfaces and are not taken up by roots or protoplasts, whereas negatively charged nanoparticles accumulate slowly and become prominent over time in the xylem of intact roots. Neutral nanoparticles penetrate rapidly into intact cells at the surfaces of plant roots and into protoplasts, but xylem loading is lower than for negative nanoparticles. These behaviours differ from those of animal cells and our results show that despite the protection of rigid cell walls, plants are accessible to nanoplastics in soil and water.</p>
On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers: dataset
<p><strong>Abstract:</strong><br> (from [1])<br> In the context of fracture simulations of polymers, the molecular mechanisms in the vicinity of the<br> crack tip are of particular interest. Nevertheless, to keep the computational cost to a minimum, a<br> coarser resolution must be used in the remaining regions of the numerical sample. For the specific<br> case of amorphous polymers, the Capriccio method bridges the gap between the length and time scales<br> involved at the different levels of resolution by concurrently coupling molecular dynamics (MD) with<br> the finite element method (FEM). Within the scope of the Capriccio approach, the coupling to the<br> molecular MD region introduces non-periodic, so-called stochastic boundary conditions (SBC). In<br> similarity to typical simulations under periodic boundary conditions (PBC), the SBC MD simulations<br> must reach an equilibrium state before mechanical loads are exerted on the coupled systems. In this<br> contribution, we hence extensively study the equilibration properties of non-periodic MD samples<br> using the Capriccio method. We demonstrate that the relaxation behavior of an MD-FE coupled<br> MD domain utilizing non-periodic boundary conditions is rather insensitive to the specific coupling<br> parameters of the method chosen to implement the boundary conditions. The behavior of an exemplary<br> system equilibrated with the parameter set considered as optimal is further studied under uniaxial<br> tension and we observe some peculiarities in view of creep and relaxation phenomena. This raises<br> important questions to be addressed in the further development of the Capriccio method.<br> <br> <strong>Contact:</strong><br> Felix Weber<br> Institute of Applied Mechanics<br> Friedrich-Alexander-Universität Erlangen-Nürnberg<br> Egerlandstr. 5<br> 91058 Erlangen<br> Germany<br> <br> <strong>Context:</strong><br> This dataset contains the results presented in [1] and related data.</p> <p><strong>Content:</strong><br> Throughout this data set, Lammps [2] real units are used. The following folders contain the results obtained under periodic boundary conditions:<br> - biax_PBC: biaxial loading <br> - equil_PBC: equilibration<br> - ut_PBC: uniaxial tension<br> Each simulation directory contains:<br> - input.prm: input parameters of the specific simulation (read by the input file)<br> - job.out: simulation log file<br> - meta.info: meta data of the specific simulation run<br> - Lammps input file (*.in) of the specific simulation<br> - Lammps data file (*.data, molecular style) of the investigated sample<br> - LAMMPS_out: resulting Lammps data and restart (*.rst) files and simulation results (Lammps thermo_out) in <br> tabulated form, an overview of the columns is given in the respective folders</p> <p>The following folders contain the results obtained under stochastic boundary conditions using the Capriccio method [3]:<br> - best: equilibration with the parameter set considered to be most suitable for the MD-FE coupled equilibration<br> - biax: biaxial loading<br> - bridging: equilibration with different adaptivity levels of the bridging domain<br> - descr_obs: equilibration with a Lagrangian frame for the description of the observation region<br> - dpd: equilibration with different thicknesses of the dissipative particle dynamics (DPD) region<br> - friccoeff: equilibration with different friction coefficients applied in the dissipative particle dynamics region<br> - fur: equilibration with different numbers of fur beads <br> - gausspoints: equilibration with different numbers of quadrature points per direction <br> - min: equilibration applying an initial, static energy minimization<br> - nodes: equilibration with a higher number of finite element nodes<br> - shifted: equilibration with particle systems obtained at different positions and points in time within the periodic master system<br> - smdcub: equilibration with different remaining stiffness ratios for the cubic modified weighting factor<br> - smdlin: equilibration with different remaining stiffness ratios for the linear modified weighting factor<br> - timestepsize: equilibration with different molecular dynamics time step sizes<br> - ut: uniaxial tension<br> - ut_friccoeff: uniaxial tension with different friction coefficients applied in the dissipative particle dynamics region<br> - weighting: equilibration with different energy weighting functions<br> - youngsmod: equilibration with different Young's moduli<br> Each simulation directory contains:<br> - input_files: Abaqus [4] input file (*.inp) and Lammps data file (*.data, molecular style) of the investigated sample<br> - MD_data: Results evaluated in the molecular dynamics region. MD_data contains the following subfolders: <br> anchorforces (dumped force components on the anchor points (AP) in kcal/mol, files anchorforce_[load step]_[MD-FE iteration].AF), <br> data (resulting Lammps data files *.[load step].[MD-FE iteration].data), Density (dumped mass density in the observation region in kg/m^3), <br> Energy (dumped total (kinetic + potential), angle, bond, and pair energies in kcal/(mol*Angstrom)), Strain (integral strains in the<br> observation region in x-, y-, and z-direction calculated by means of the Matlab [5] script calc_OBSstrain.m),<br> Stress (stresses in the observation region in MPa), and Temperature (temperature in the observation region in K)<br> - job.out: simulation log file<br> - meta.info: meta data of the specific Lammps simulation<br> Information on the subfolders is given in the respective folders.</p> <p><strong>References:</strong><br> [1] F. Weber, M. Ries, C. Bauer, C. R. Wick, S. Pfaller, "On equilibrating non-periodic molecular dynamics samples for coupled<br> particle-continuum simulations of amorphous polymers", Forces in Mechanics, 2023, 10, 100159.<br> [2] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, <br> S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, S. J. Plimpton, "LAMMPS - a flexible simulation tool <br> for particle-based materials modeling at the atomic, meso, and continuum scales", Computer Physics Communications, 2022, 271, 108171.<br> [3] S. Pfaller, M. Rahimi, G. Possart, P. Steinmann, F. Müller-Plathe, M. C. Böhm, "An Arlequin-based method to couple molecular dynamics <br> and finite element simulations of amorphous polymers and nanocomposites", Computer Methods in Applied Mechanics and Engineering, <br> 2013, 260, 109-129. <br> [4] Dassault Systèmes, "Abaqus documentation", URL: https://abaqus-docs.mit.edu/2017/English/SIMACAEEXCRefMap/simaexc-c-docproc.htm.<br> [5] The MathWorks, Inc, "MATLAB. The Language of Technical Computing", URL: https://de.mathworks.com/help/matlab/.</p> <p><strong>Funding:</strong><br> This research was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) -<br> 377472739/GRK 2423/1-2019. The authors are very grateful for this support. Sebastian Pfaller is furthermore<br> funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - 396414850 (Individual<br> Research Grant ’Identifikation von Interphaseneigenschaften in Nanokompositen’).</p>
Equilibrated Kremer-Grest polymer melts of M=1000 linear chains with Z=200 entanglements for varying chain stiffness
<p>Kremer-Grest model polymer melts of highly entangled linear chains. Each melt has approximately 1000 chains of Z=200 entanglements each. Systems have been generated for integer and half-integer stiffness kappa=-2.0 to 6.0. System sizes range from 25M to 2M beads.</p> <p>For details regarding the equilibration process and the Kremer-Grest polymer model see C. Svaneborg & R. Everaers ""Multiscale equilibration of highly entangled isotropic model polymer melts" J. Chem. Phys. 158, 054903 (2023) <a href="https://doi.org/10.1063/5.0123431">https://doi.org/10.1063/5.0123431</a></p> <p>Filenames denote the kappa<value> used when equilibrating the melt as well as the number of entanglements Z<number> and the number of molecules M<number>. The files are in ASCII format in the format of a LAMMPS data file. (https://lammps.sandia.gov) The semantics is self-explanatory, sections contains id, molecule, unwrapped coordinates of all beads, as well as bond and angular interactions between all beads.</p> <p>We acknowledge that part of the results of this research was obtained using the PRACE Research Infrastructure resource Joliot-Curie SKL based in France at GENCI@CEA. Computing facilities were provided by the eScience Center at the University of Southern Denmark and financed by the Faculty of Science.</p> <p>Please cite as:</p> <p>@article{MultiscaleEquilibrationHighlyEntangledIsotropicModelPolymerMelts,<br> author = {Svaneborg,Carsten and Everaers,Ralf },<br> title = {Multiscale equilibration of highly entangled isotropic model polymer melts},<br> journal = {J. Chem. Phys.},<br> volume = {158},<br> number = {5},<br> pages = {054903},<br> year = {2023},<br> doi = {10.1063/5.0123431},</p> <p> URL = {https://doi.org/10.1063/5.0123431}</p> <p>}</p> <pre>@misc{EquilibratedKGMeltsZ200, author = {Svaneborg,Carsten and Everaers,Ralf}, title = {Equilibrated Kremer-Grest polymer melts of M=1000 linear chains with Z=200 entanglements for varying chain stiffness.}, month = feb, year = 2023, publisher = {Zenodo}, version = {1.0}, doi = {10.5281/zenodo.7034881}, url = {https://doi.org/10.5281/zenodo.7034881} }</pre>
polyOne Data Set - 100 million hypothetical polymers including 29 properties
<p><strong>polyOne Data Set</strong></p> <p>The data set contains 100 million hypothetical polymers each with 29 predicted properties using machine learning models. We use PSMILES strings to represent polymer structures, see <a href="https://www.polymergenome.org/guide/index.php?m=3">here</a> and <a href="https://github.com/Ramprasad-Group/psmiles">here</a>. The polymers are generated by decomposing previously synthesized polymers into unique chemical fragments. Random and enumerative compositions of these fragments yield 100 million hypothetical PSMILES strings. All PSMILES strings are chemically valid polymers but, mostly, have never been synthesized before. More information can be found in the paper. Please note the license agreement in the LICENSE file.</p> <p><strong>Full data set including the properties</strong></p> <p>The data files are in Apache Parquet format. The files start with `polyOne_*.parquet`.</p> <p>I recommend using dask (`pip install dask`) to load and process the data set. Pandas also works but is slower.</p> <p>Load sharded data set with dask<br> ```python<br> import dask.dataframe as dd<br> ddf = dd.read_parquet("*.parquet", engine="pyarrow")<br> ```</p> <p>For example, compute the description of data set<br> ```python<br> df_describe = ddf.describe().compute()<br> df_describe</p> <p>```</p> <p><strong>PSMILES strings only</strong></p> <ul> <li>generated_polymer_smiles_train.txt - 80 million PSMILES strings for training polyBERT. One string per line.</li> <li>generated_polymer_smiles_dev.txt - 20 million PSMILES strings for testing polyBERT. One string per line.</li> </ul>
BIOHARV project INTERREG V - Piezoelectric biobased polymers - Data set n°2
<p>The BIOHARV projet is financed by FEDER, Wallonia Region, West-Vlaanderen Region and Agentshap Innoveren & Ondernemen. BIOHARV project started on 2016, October 1st for 4 years. Six academic & technological partners are gathered (Institute Mines Telecom North Europe, Armines, University of Mons, Centexbel, University of Lille and Polytechnic University Hauts-De-France. The main objective of the BIOHARV project is demonstrate & investigate piezoelectric, electroactive & electromechanical properties of biobased polymers. </p> <p><strong>This dataset includes the physico-cheminal properties for various types of PLA processed by extrusion-MDO (machine-direction orientation) in relation to their shear piezoelectric properties. Various characterization techniques are used such as DSC, (2D-)WAXS, (2D-)SAXS and FTIR (non polarized and polarized). The related article "Shear Piezoelectricity of Poly(L-Lactide) Films Manufactured by Extrusion – Orientation: An Insight on Process – Structure – Properties Relationships" will be published soon.</strong></p>
Polymer characterization of submerged plastic litter from Lake Tahoe, United States
<p>Monitoring plastic litter in the environment is critical to understanding the amount, sources, transport, fate, and environmental impact of this pollutant. However, few studies have monitored plastic litter on lakebeds which are potentially important environments for determining the fate and transport of plastic litter in freshwater basins. In this study, self-contained underwater breathing apparatus (SCUBA) was used for litter collection at the lakebed along transects at five locations in Lake Tahoe, United States. Litter was brought to the surface and characterized by litter type. Plastic litter was subsampled for polymer determination using Attenuated Total Reflectance-Fourier Transform InfraRed (ATR-FTIR) spectroscopy. The average plastic litter recovered from the lakebed for the five dive sites was 83 ±49 items per kilometer. The top plastic litter categories were other plastic litter (i.e. plastic litter that did not fall in another category), followed by food containers, plastic bags, toys, and bottles <2 L. These results are in line with prior studies on submerged litter, supporting that intervention approaches or ongoing education is needed. The six polymers most frequently detected in the subsamples were polyvinyl chloride, polystyrene/expanded polystyrene, polyethylene terephthalate/polyester, polyethylene, polypropylene, and polyamide. These observations generally reflect the global plastic production trend and global compilations of microplastic studies from lake surface water and sediments. We found that some litter subcategories were primarily comprised of a single polymer type, therefore, in studies where the polymer type cannot be measured but litter is categorized, these results could provide an estimate of the total polymer composition for select subcategories.</p>
Molecular in situ monitoring of the pH-triggered response in adaptive polymers by two-dimensional Raman micro-correlation-spectroscopy - Raw Data
<p>Raw data for publication Molecular in situ monitoring of the pH-triggered response in adaptive polymers by two-dimensional Raman micro-correlation-spectroscopy</p>
ScienceDex guides
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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.