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Dataset results
15 results for “reaction network”
Data Set for the Journal Article "Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis"
<p>This dataset includes the XYZ structures of the centroids of all compounds found. Charge and multiplicity are given in the comment line of each XYZ file.</p>
Predicting continuous ground reaction forces from accelerometers during uphill and downhill running: A recurrent neural network solution
<p>Data and model files supporting the manuscript: </p> <p>Predicting continuous ground reaction forces from accelerometers during uphill and downhill running: A recurrent neural network solution.</p> <p>Repository: https://github.com/alcantarar/Recurrent_GRF_Prediction</p>
Modeling CH4 and CO2 cycling using porewater stable isotopes in a thermokarst bog in Interior Alaska: Results from three conceptual reaction networks
Quantifying rates of microbial carbon transformation in peatlands is essential for gaining mechanistic understanding of the factors that influence methane emissions from these systems, and for predicting how emissions will respond to climate change and other disturbances. In this study, we used porewater stable isotopes collected from both the edge and center of a thermokarst bog in Interior Alaska to estimate in situ microbial reaction rates. We expected that near the edge of the thaw feature, actively thawing permafrost and greater abundance of sedges would increase carbon, oxygen and nutrient availability, enabling faster microbial rates relative to the center of the thaw feature. (full abstract available in supplemental file 610_NeumannPorewaterExtendedMetadataText.pdf)
Data Set for the Journal Article "Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks"
<p>This data archive contains all data newly created in the following publication:</p> <p>Charlotte H. Müller, Miguel Steiner, Jan P. Unsleber, Thomas Weymuth, Moritz Bensberg, Katja-<br>Sophia Csizi, Maximilian Mörchen, Paul L. Türtscher, and Markus Reiher, "Heron: Visualizing and<br>Controlling Chemical Reaction Explorations and Networks", in preparation.</p> <p>The directory contents are as follows:</p> <ul> <li>steered_eschenmoser.tar.xz: Dump of the database created during the steered exploration</li> <li>steered_exploration_protocol_chemoton_3.1.json: Protocol used for the steered exploration</li> </ul>
The GRETOBAPE gas-phase reaction network: the importance of being exothermic
<p>Zip file containing all the network, codes and database used and/or obtained in our accepted article for publication in ApJS, 2023.</p> <p>The folder structure is illustrated in the ReadMe.txt file.</p>
Baseline Performance and MAS reaction to network Anomalies in Demo 1
<p>Collected Latency data and packet captures for the demo described by the paper 10.5281/zenodo.12820942 "Augmented Reality App with AI-based Pervasive Latency Monitoring of RAN and Programmable Metro Packet-Optical Networks" presented during ICTON24 conference.</p>
Dataset for the numerical simulation in the article "Catalytically biased self-assembly by hybridization of reversibility and irreversibility in a reaction network"
<p>This dataset includes the essential source code and the corresponding numerical data for the self-assembly of a M6L4 square-based pyramid (SP) complex. </p> <p>The associated study is described in </p> <p><strong>"Catalytically biased self-assembly by hybridization of reversibility and irreversibility in a reaction network"</strong>, by T. Abe, S. Takahashi, H. Sato, and S. Hiraoka.</p>
ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation
<p><span>ReaxFF simulations, QM calculation input/output files, and Jupyter notebooks for data analysis and visualization.</span></p>
Inference and Test Generation Using Program Invariants in Chemical Reaction Networks Artifacts
<p>The artifacts for Inference and Test Generation Using Program Invariants in Chemical Reaction Networks, published at ICSE 2022.</p> <p>The pdf of the paper can be accessed at <a href="https://ieeexplore.ieee.org/document/9794130">IEEEXplore</a>.</p> <p><strong>To cite this work, please use the citation below:</strong></p> <pre>@INPROCEEDINGS{GertenICSE22, author={Gerten, Michael C. and Marsh, Alexis L. and Lathrop, James I. and Cohen, Myra B. and Miner, Andrew S. and Klinge, Titus H.}, booktitle={2022 IEEE/ACM 44th International Conference on Software Engineering (ICSE)}, title={Inference and Test Generation Using Program Invariants in Chemical Reaction Networks}, month={May}, year={2022}, pages={1193-1205}, doi={10.1145/3510003.3510176}}</pre> <p>The artifacts are also available on <a href="https://github.com/LavaOps/ICSE-2022-Artifacts">GitHub</a>.</p> <p><strong>This is an updated version of the ChemFlow tool. The update addressed an overflow error when computing gaussian elimination that could result in incorrect invariants with certain model inputs. After verification, all models in this work were not affected by this bug and have the same set of invariants generated by both versions. We have updated the docker file to use the new code as well.</strong></p>
MESA files for: "Progenitor stars calculated with small reaction networks should not be used as initial conditions for core collapse"
<p>Reproduction package for RNAAS [TBD].<br><br>Use MESA r24.03.1 and the provided template folder in `MESA_template.tar.xz` to reproduce the MESA models. Resolution tests can be done changing in `inlist1` the parameters `mesh_delta_coeff`, `mesh_time_coeff`, and `mesh_delta_coeff_for_highT` (see commented option).<br>Use the provided `environment.yml` and the script `compare_two_models.py` provided in `scripts.tar.xz` with a few dependencies to reproduce the figure in the research note.</p>
Data for the "Systems NMR: simultaneous quantification of RNA, protein, and metabolite reaction dynamics for biomolecular network analysis."
<p>This dataset contains raw NMR data used in the publication.</p> <p>Detailed protocol for the presented NMR setup and analysis is included in the publication, and at https://github.com/systemsnmr/ivtnmr.</p> <p>v0.2 includes the integr_results_31P_pure_PO4.txt files - phosphate-spectra integration files which were missing in v0.1 submission.</p>
Chemical reaction networks of glycolonitrile and glycolonitrile-H
<p>Reaction networks of glycolonitrile (HOCH<sub>2</sub>CN) and HOCH<sub>2</sub>CHN radical obtained with the automated reaction discovery program <a href="https://rxnkin.usc.es/index.php/AutoMeKin">AutoMeKin</a></p>
Canadian Anaphylaxis Network- Predicting Recurrence After Emergency Presentation for Allergic REaction
ClinicalTrials.gov study NCT05135377. IPD Sharing: UNDECIDED. Countries: 1. Publications: 1.
National Active Surveillance Network and Pharmacogenomics of Adverse Drug Reactions in Children
ClinicalTrials.gov study NCT00414115. IPD Sharing: Not stated. Countries: 1. Publications: 2.
Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)
<p>This repository includes the input and output dataset, and python scripts used in the article, "Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)," of J. Chem. Phys. 156, 154108 (2022) [DOI: <a href="http://doi.org/10.1063/5.0087310">10.1063/5.0087310</a>] The repository also includes source data of figures in the article.</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.