Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
21,281
datasets available to search
ShareScore release 0.9.0
Dataset results
21,281 results for “molecular”
Dry trajectories of SARS-CoV-2 RBD from accelerated molecular dynamics simulation
<p>These are supplementary files to the preprint/paper "SARS-CoV-2 spike protein unlikely to bind to integrins via the Arg-Gly-Asp (RGD) motif of the Receptor Binding Domain: evidence from structural analysis and microscale accelerated molecular dynamics" (http://dx.doi.org/10.1101/2021.05.24.445335).</p> <p>The attached code in Jupyter notebook can be run after installing the virtual environment using the `environment.yml `</p> <p>The file `data.zip` needs to be extracted to the same path where the notebook is run from</p>
Molecular Dynamics simulations suggest possible activation and deactivation pathways in hERG channel
<ol> <li>equil_gating_4_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 4 equilibration trajectory</li> <li>equil_gating_6_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 6 equilibration trajectory</li> <li>equil_gating_8_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 8 equilibration trajectory</li> <li>equil_gating_4.dcd: 100 ns NPT trajectory of the hERG closed state with gating charge 4</li> <li>equil_gating_6.dcd: 100 ns NPT trajectory of the hERG closed state with gating charge 6</li> <li>equil_gating_8.dcd: 100 ns NPT trajectory of the hERG closed state with gating charge 8</li> <li>equil_open_assembly_xleap.prmtop: file topology of the hERG open state equilibration trajectory</li> <li>equil_open.dcd: 100 ns NPT trajectory of the hERG open state</li> <li>herg_closed_gating_4.pdb: PDB file of hERG closed state with gating charge 4 after Steered MD simulations</li> <li>herg_closed_gating_6.pdb: PDB file of hERG closed state with gating charge 6 after Steered MD simulations</li> <li>herg_closed_gating_8.pdb: PDB file of hERG closed state with gating charge 8 after Steered MD simulations</li> <li>TMD_O-C_closed_gating_8_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 8 TMD trajectory</li> <li>TMD_O-C_closed_gating_6_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 6 TMD trajectory</li> <li>TMD_O-C_closed_gating_4_assembly_xleap.prmtop: file topology of the hERG closed state with gating charge 4 TMD trajectory</li> <li>TMD_O-C_closed_gating_8.dcd: TMD trajectory of the hERG closed state with gating charge 8</li> <li>TMD_O-C_closed_gating_6.dcd: TMD trajectory of the hERG closed state with gating charge 6</li> <li>TMD_O-C_closed_gating_4.dcd: TMD trajectory of the hERG closed state with gating charge 4</li> </ol> <p>MD trajectories (equilibration and Targeted MD trajectories) in dcd format can be visualized using visualization tools such as VMD or PyMol after uploading the topology file.</p> <p>The directory data_supplementary-note-4.tar.bz2 contains the files related to the Supplementary Notes 4: "A practical example of pathway calculation".</p>
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
<p>Containes input data for MD simulations of 3 HSP90- small compound complexes from the paper</p> <p>A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories" from Daria B. Kokh, Bernd Doser , Stefan Richter , Fabian Ormersbach , Xingyi Cheng, Rebecca C. Wade, publishe in J. Chem. Phys. <strong>153</strong>, 125102 (2020); <a href="https://doi.org/10.1063/5.0019088">https://doi.org/10.1063/5.0019088</a></p> <ul> <li>ref.pdb - structure of the complex in PDB format</li> <li>ref.prmtop - topology file in AMBER</li> <li>ref-equal-NTP.pdb - structure after NTP equilibration </li> <li>ref-equal-NTP.rst7 - coordinates after NTP equilibration</li> <li>ref-equal-NTP.crd - coordinates after NTP equilibration </li> <li>gromacs.gro - coordinates in Gromacs format (after NTP equalibration)</li> <li>gromacs.top - Gromacs topology </li> </ul> <p> </p>
MeV SIMS analysis of irradiation effects on molecular signatures
<p>Characterizing the effect of MeV ion beam irradiation on biological tissues is important for proton beam therapy, which is routinely used as a form of cancer treatment. It is also important for optimizing protocols for multimodal elemental and molecular imaging. Elemental mapping of trace elements in tissues has been carried out for a long time using nuclear microprobe analysis. However, the effect of MeV ion beams on biological samples is largely unexplored. These effects have been explored in Surrey using two mass spectrometry imaging (MSI) techniques – matrix-assisted laser desorption electrospray (MALDI) and desorption electrospray ionization (DESI). The combination of these techniques with ion beam analysis (IBA) presents a few challenges, namely substrate compatibility and de-localization of elemental markers during measurements. As such, MeV-secondary ion mass spectrometry (SIMS) is being explored as an alternative technique for molecular imaging of biological tissues. MeV SIMS, unlike conventional keV SIMS, allows the detection of intact molecules, making it a prime candidate for the molecular analysis of biological samples. This presents an opportunity to benchmark the capabilities of MeV SIMS against established and widely used techniques such as DESI and MALDI. Experiments carried out at Surrey (reported at the ICNMTA 2020) observed that proton beam-induced damage could be mitigated through the application of a MALDI matrix (employed in MALDI as an ionization aid and sample protection). Thus, the role of this matrix is explored in MeV SIMS experiments.</p>
Dataset supporting the paper "Molecular Approach for Engineering Interfacial Interactions in Magnetic/Topological Insulator Heterostructures. ACS Nano 14, 6285 (2020)"
<p>Dataset corresponding to theoretical calculations in the paper "Molecular Approach for Engineering Interfacial Interactions in Magnetic/Topological Insulator Heterostructures" ACS Nano 14, 6285 (2020), DOI: <a href="https://doi.org/10.1021/acsnano.0c02498">10.1021/acsnano.0c02498</a></p> <p>List of files:</p> <p>Several folders corresponding to the figures of the paper. They contain the following files:</p> <ul> <li>CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (<a href="https://jp-minerals.org/vesta/en/">https://jp-minerals.org/vesta/en/</a>)</li> <li>.agr files: grace files (<a href="https://plasma-gate.weizmann.ac.il/Grace/">https://plasma-gate.weizmann.ac.il/Grace/</a>).<br> </li> </ul>
Dataset supporting the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)"
<p>Dataset corresponding to theoretical calculations in the paper "Power discontinuity and shift of the energy onset of a molecular de-bromination reaction induced by hot-electron tunneling. Nanoscale 13, 15215 (2021)". DOI: <a href="https://doi.org/10.1039/D1NR04229G">10.1039/D1NR04229G</a></p> <p>List of files:</p> <p>Several folders corresponding to the figures of the paper. They contain:</p> <ul> <li>CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (<a href="https://jp-minerals.org/vesta/en/">https://jp-minerals.org/vesta/en/</a>).</li> <li>.agr: grace files (<a href="https://plasma-gate.weizmann.ac.il/Grace/">https://plasma-gate.weizmann.ac.il/Grace/</a>).<br> </li> </ul>
Intrinsic and apparent slip at gas-enriched liquid-liquid interfaces: a molecular dynamics study
<p>- "sl1.dat" : text file with data slip length vs number of gas atoms for k_gas = 1.0</p> <p>- "sl5.dat" : text file with data slip length vs number of gas atoms for k_gas = 0.5</p> <p>- "sl25.dat" : text file with data slip length vs number of gas atoms for k_gas = 0.25</p> <p>- "sl125.dat" : text file with data slip length vs number of gas atoms for k_gas = 0.125</p> <p>- "plotsl.plt": gnuplot script to plot slip lengths data and obtain figure 5a of the article</p> <p>- "dg.dat": data for solubilities in kbT units from figure 3 of the article</p> <p>- "3600gask0125.xyz": trajectory file in xyz format for the system with k_gas= 0.125 and 3600 gas atoms</p> <p>- "3600.data": starting configuration for k_gas = 0.125 and 3600 gas atoms in restart.data format for lammps</p> <p>- "in.shear": lammps input script to run the shear simulation for the system with k_gas = 0.125 and 3600 gas atoms starting from configuration store in "3600.data" file</p> <p> </p>
Molecular Dynamics simulations of spreading droplets
<p>This dataset contains the results of non-equilibrium Molecular Dynamic simulations of 2-dimensional SPC/E water nanodroplets spontaneously spreading over silica-like walls, performed using Gromacs. The main purpose of these simulations is to study the motion of three-phases contact lines over high-friction surfaces and to test contact line friction models.</p> <p>Further details can be found in 'documentation.pdf'.</p>
data set to bioRxiv preprint 'Persistent cross-species SARS-CoV-2 variant infectivity predicted via comparative molecular dynamics simulation
<p>This is supporting data and software code for the following preprint in bioRxiv</p> <p><strong>Persistent cross-species SARS-CoV-2 variant infectivity predicted via comparative molecular dynamics simulation</strong></p> <p>https://www.biorxiv.org/content/10.1101/2022.04.18.488629v1</p>
Molecular Dynamics simulations of shear droplets
<p>This dataset contains the results of non-equilibrium Molecular Dynamic simulations of 2-dimensional SPC/E water nanodroplets confined between silica-like walls and under shear flow conditions, performed using Gromacs. The main purposes of these simulations are: a) to study the motion of three-phases contact lines over high-friction surfaces, b) to study the critical transition leading to droplet breakage and c) to test the modelling and prediction capabilities of continuous fluid dynamics simulation methods. The investigation of the points above is illustrated in an article, which has been digitally published on the Journal of Fluid Mechanics (doi:10.1017/jfm.2022.219, see references); please refer to the paper for a detailed description of the molecular simulations and of the tested CFD methods. The publication of this dataset not only grants the reproducibility of the results discussed in the article, but also serves as collection of benchmarks for the fellow researchers willing to test improved and/or alternative models to describe the motion of contact lines.</p>
All-atom molecular dynamics simulations of Synechocystis halorhodopsin (SyHR)
<p>The trajectories of all-atom MD simulations of:<br> 1) Cl<sup>-</sup>-bound SyHR in the ground (GR) state (SyHR_monomer_GR_POPC_CHARMM36_200ns)<br> 2) Cl<sup>-</sup>-bound SyHR in the K state (SyHR_monomer_K_POPC_CHARMM36_200ns)<br> in the monomeric form in a POPC bilayer.<br> 3) SO<sub>4</sub><sup>2-</sup>-bound SyHR in the GR state (SyHR_trimer_GR_POPC_CHARMM36_500ns)<br> in the trimeric form in a POPC bilayer.</p> <p>Simulations have been performed using the CHARMM36 force field, running with the GROMACS 2022 package.</p>
Intermolecular interactions in G protein-coupled receptor allosteric sites at the membrane interface from molecular dynamics simulations and quantum chemical calculations
<p>Allosteric modulators are called to be promising candidates in G protein-coupled receptor (GPCR) drug development by displaying target selectivity and fewer side effects. Among the allosteric sites known to date, extrahelical cavities represent an uncharacteristic binding location that raises many questions about the ligand interactions and stability; the binding site structure, and how all of these are affected by lipid molecules. In this work, we analyze the dynamics and interactions in the PAR2, C5aR1, and GCGR receptors unbound and bound to allosteric modulators at the receptor-lipid interface using molecular dynamics simulations in three lipid compositions. In addition, we performed quantum chemical calculations to further explore electrostatic interactions and the strength of atom pairwise contacts in the stabilization of the ligand-receptor complexes. We show that besides classical hydrogen bonds weak polar interactions such as O-HC, O-Br, and S-HC contacts and aromatic interactions contribute to the binding of allosteric modulators at the extrahelical sites in the middle of the membrane. The allosteric cavities are open and detectable in various membrane compositions but not always predicted as druggable. The availability of polar atoms for interactions in such cavities can be assessed by water molecules from the simulations. Although ligand-lipid interactions are weak, the lipid tails play a role in sizing and shaping the large part of the allosteric cavity. </p> <p>You will find the following files:</p> <ul> <li>Input files of the equilibration and production protocols of MD simulations (MD_simulations_inputs.zip)</li> <li>Input files and coordinate files of F-SAPT and NCIPLOT calculations (quantum_chemical_coordiates_inputs.zip)</li> </ul>
Simulations from "Using Molecular Gas Observations to Guide Initial Conditions for Star Cluster Simulations"
<p>This dataset contains the simulation results from the article "Using Molecular Gas Observations to Guide Initial Conditions for Star Cluster Simulations" (submitted to MNRAS).</p> <p><br> The data is grouped by simulation and by particle type (gas, sinks and stars). Gas is uploaded with one snapshot per 0.05 Myr, sinks and stars with one snapshot per 0.01 Myr. The data is stored in AMUSE data format, which uses hdf5.</p>
A Ligand Field Molecular Mechanics Study of CO2 Induced Breathing in the metal-organic framework DUT-8(Ni)
<p>Raw Data, scripts and processed data for the publication "A Ligand Field Molecular Mechanics Study of CO2 Induced Breathing in metal-organic framework DUT-8(Ni)"</p>
Ab-initio molecular dynamics trajectories of fully hydrated TiO2 surfaces
<p>This data set contains trajectories of ab-initio molecular dynamics simulations of TiO<sub>2</sub> surfaces in water described in the paper:</p> <p>L.Agosta, E.G.Brandt and A.P.Lyubartsev<br> "Diffusion and reaction pathways of water near fully hydrated TiO<sub>2</sub> surfaces from ab initio molecular dynamics",<br> J.Chem.Phys., 147, 024704 (2107) doi: http://dx.doi.org/10.1063/1.4991381</p> <p>Trajectories of 6 fully hydrated TiO2 surfaces are stored under respective names. Each trajectory file contains 50 ps of simulation with frames saved every 0.0005 ps. Format: PDB, gzipped.</p> <p> </p>
Molecular dynamics simulation trajectory of an anionic lipid bilayer: 100 mol% DOPS with Na+ counterions using ff99 Ions
<p><strong>System: </strong>Symmetric bilayer of anionic DOPS (1,2-Dioleoyl-<em>sn</em>-glycero-3-phosphoserine 100 mol-%) lipids with sodium (Na<sup>+</sup>) counter ions.</p> <p><strong>Number of DOPS:</strong> 128.<br> <strong>Number of Na<sup>+</sup>-ions:</strong> 128.<br> <strong>Number of waters:</strong> 4480.</p> <p><strong>Lipid model:</strong> Amber Lipid 17 [IR Gould, AA Skjevik, CJ Dickson, BD Madej, RC Walker: "Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids" in prep. (2018)].</p> <p><strong>Ion models: </strong> Amber ff99 [J Åqvist <em>J. Phys. Chem.</em> <strong>94</strong> 8021 (1990)].</p> <p><strong>Water model:</strong> TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein <em>J. Chem. Phys.</em> <strong>79</strong> 926 (1983)].</p> <p><strong>Simulation engine:</strong> Amber16 [DA Case et al. <em>AMBER 2017</em> UCSF (2017)].</p> <p><strong>Number of independent repeats per setup: </strong>2.<br> <strong>Trajectory lengths per repeat:</strong> 400 ns + 100 ns.<br> <strong>Previously equilibrated for:</strong> 100 ns.<br> <strong>Sampling rate:</strong> every 10 ps.</p> <p><strong>Time integration step:</strong> 2 fs.</p> <p><strong>Thermodynamic ensemble:</strong> NpT. <br> <strong>Temperature coupling:</strong> 'Langevin' at T = 303 K.<br> <strong>Pressure coupling: '</strong>Berendsen' [<em>J. Chem. Phys.</em> <strong>81</strong> 3684 (1984); <em>J. Chem. Phys.</em> <strong>103</strong> 10252 (1995)] with xy and z coupled separately at p = 1.0 bar with no surface tension.</p> <p><strong>Electrostatics: </strong>PME [<em>J. Chem. Phys.</em> <strong>98</strong> 10089 (1993);<em> J. Chem. Theory Comput.</em> <strong>9</strong> 3878 (2013)].<br> <strong>Van der Waals:</strong> Turned off between 1.0 nm and 1.5 nm.</p> <p><strong>Constraints: </strong>Lengths of covalent bonds involving Hydrogens in lipids using SHAKE [<em>J. Comput. Phys.</em> <strong>23</strong> 327 (1977)], in water using SETTLE [<em>J. Comput. Chem. </em><strong>13</strong> 952 (1992)].</p> <p><strong>Used in publications: </strong>OHS Ollila et al. "NMRlipids IV: Headgroup & glycerol backbone structures, and cation binding in bilayers with PS lipids" in prep (2018).</p>
Molecular dynamics simulation trajectory of an anionic lipid bilayer: 100 mol% POPS with Na+ counterions using Joung-Cheatham Ions
<p><strong>System:</strong> Symmetric bilayer of anionic POPS (palmitoyl-oleoyl-phosphatidylserine 100 mol-%) lipids with sodium (Na<sup>+</sup>) counter ions.</p> <p><strong>Number of POPS:</strong> 128.<br> <strong>Number of Na<sup>+</sup>-ions:</strong> 128.<br> <strong>Number of waters:</strong> 4480.</p> <p><strong>Lipid model:</strong> Amber Lipid 17 [IR Gould, AA Skjevik, CJ Dickson, BD Madej, RC Walker: "Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids" in prep. (2018)].</p> <p><strong>Ion model:</strong> Joung–Cheatham [IS Joung, TE Cheatham III <em>J. Phys. Chem. B</em> <strong>112</strong> 9020 (2008)].</p> <p><strong>Water model:</strong> TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein <em>J. Chem. Phys.</em> <strong>79</strong> 926 (1983)].</p> <p><strong>Simulation engine:</strong> Amber16 [DA Case et al. <em>AMBER 2017</em> UCSF (2017)].</p> <p><strong>Number of independent repeats per setup:</strong> 2.<br> <strong>Trajectory lengths per repeat:</strong> 400 ns + 100 ns.<br> <strong>Previously equilibrated for:</strong> 100 ns.<br> <strong>Sampling rate:</strong> every 10 ps.</p> <p><strong>Time integration step:</strong> 2 fs.</p> <p><strong>Thermodynamic ensemble:</strong> NpT. <br> <strong>Temperature coupling:</strong> 'Langevin' at T = 298 K.<br> <strong>Pressure coupling:</strong> 'Berendsen' [<em>J. Chem. Phys.</em> <strong>81</strong> 3684 (1984); <em>J. Chem. Phys</em>. <strong>103</strong> 10252 (1995)] with <em>xy</em> and <em>z</em> coupled separately at p = 1.0 bar with no surface tension.</p> <p><strong>Electrostatics:</strong> PME [<em>J. Chem. Phys.</em> <strong>98</strong> 10089 (1993); <em>J. Chem. Theory Comput. </em><strong>9</strong> 3878 (2013)].<br> <strong>Van der Waals:</strong> Turned off between 1.0 nm and 1.5 nm.</p> <p><strong>Constraints:</strong> Lengths of covalent bonds involving Hydrogens in lipids using SHAKE [<em>J. Comput. Phys.</em> <strong>23</strong> 327 (1977)], in water using SETTLE [<em>J. Comput. Chem.</em> <strong>13</strong> 952 (1992)].</p> <p><strong>Used in publications:</strong> OHS Ollila et al. "NMRlipids IV: Headgroup & glycerol backbone structures, and cation binding in bilayers with PS lipids" in prep (2018).</p>
Dataset for the publication: Molecularly-controlled high swirl combustion system for ethanol/1-octanol dual fuel combustion
<p>This dataset contains the research data featured in the publication "Molecularly-controlled high swirl combustion system for ethanol/1-octanol dual fuel combustion" in Fuel (DOI: 10.1016/j.fuel.2023.128184)</p>
Molecular simulations of nanoscale two-phase Couette flow of a water-hexane system on a hydrophobic substrate
<p>This dataset contains the output of Molecular Dynamics simulations (MD) of two-phase Couette flow of water/hexane biphasic systems, in terms of density, velocity and temperature fields. Instructions on how to read and analyze the output files in the <code>.tar.gz</code> archives can be found in these previously-published datasets: <a href="https://doi.org/10.5281/zenodo.8077915">https://doi.org/10.5281/zenodo.8077915</a>, <a href="https://doi.org/10.5281/zenodo.6541983">https://doi.org/10.5281/zenodo.6541983</a></p> <p>The run output files are labeled using the following pattern: <code>hex-ca<capillary-number>-q<partial-charge>.tar.gz</code>. It is possible to obtain the wall speed/contact line speed from the capillary number using the following formula: <code>u_w = U_0*<capillary-number></code>, with <code>U_0 = 37.246 m/s</code>.</p> <p>To reproduce the runs it is necessary to use a specific version of Gromacs that allows for a special algorithm of pressure scaling with position restraints. The code can be obtained by cloning <a href="https://github.com/MicPellegrino/gromacs-flow-field.git">https://github.com/MicPellegrino/gromacs-flow-field.git</a>, and switching to the <code>flow-field-grid-visco-coms-deform</code> branch.</p> <p>The folder <code>conf-wat-hex.zip</code> contains the configuration files to reproduce MD simulations. To prepare the equilibration runs at constant pressure, run after having installed Gromacs:</p> <p><code>gmx grompp -f npt.mdp -p topology.top -c before-npt.gro -r before-npt.gro -o system-npt.tpr</code></p> <p>while to prepare the shear runs:</p> <p><code>gmx grompp -f shear.mdp -p topology.top -c after-npt.gro -r lambda0.gro -rb lambda1.gro -o system-shear.tpr</code></p> <p>Simulations are launched by running:</p> <p><code>gmx mdrun -v -s <tpr-file-name>.tpr <possibly-other-mdrun-flags></code></p> <p>Have fun simulating!</p>
Molecular simulations of nanoscale two-phase Couette flow of a water-hexane system on a hydrophilic substrate
<p>This dataset contains the output of Molecular Dynamics simulations (MD) of two-phase Couette flow of water/hexane biphasic systems, in terms of density, velocity and temperature fields. Instructions on how to read and analyze the output files in the <code>.tar.gz</code> archives can be found in these previously-published datasets: <a href="https://doi.org/10.5281/zenodo.8077915">https://doi.org/10.5281/zenodo.8077915</a>, <a href="https://doi.org/10.5281/zenodo.6541983">https://doi.org/10.5281/zenodo.6541983</a></p> <p>The run output files are labeled using the following pattern: <code>hex-ca<capillary-number>-q<partial-charge>.tar.gz</code>. It is possible to obtain the wall speed/contact line speed from the capillary number using the following formula: <code>u_w = U_0*<capillary-number></code>, with <code>U_0 = 37.246 m/s</code>.</p> <p>To reproduce the runs it is necessary to use a specific version of Gromacs that allows for a special algorithm of pressure scaling with position restraints. The code can be obtained by cloning <a href="https://github.com/MicPellegrino/gromacs-flow-field.git">https://github.com/MicPellegrino/gromacs-flow-field.git</a>, and switching to the <code>flow-field-grid-visco-coms-deform</code> branch.</p> <p>The folder <code>conf-wat-hex.zip</code> contains the configuration files to reproduce MD simulations. To prepare the equilibration runs at constant pressure, run after having installed Gromacs:</p> <p><code>gmx grompp -f npt.mdp -p topology.top -c before-npt.gro -r before-npt.gro -o system-npt.tpr</code></p> <p>while to prepare the shear runs:</p> <p><code>gmx grompp -f shear.mdp -p topology.top -c after-npt.gro -r lambda0.gro -rb lambda1.gro -o system-shear.tpr</code></p> <p>Simulations are launched by running:</p> <p><code>gmx mdrun -v -s <tpr-file-name>.tpr <possibly-other-mdrun-flags></code></p> <p>Have fun simulating!</p>
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.