Elements: Streaming Molecular Dynamics Simulation Trajectories for Direct Analysis – Applications to Sub-Picosecond Dynamics in Microsecond Simulations by Matthias Heyden (17087794)

“…We have implemented this streaming interface in the MD engines NAMD, LAMMPS, and GROMACS</p><p dir="ltr">On the client side, we developed the IMDClient Python package which receives the streamed data, stores into a custom buffer, and provides it to external tools as NumPy arrays, facilitating integration with scientific computing workflows. …”

Voxel Dataset by David Towers (12857447)

“…<p>The Voxel dataset is a constructed dataset of 3D shapes designed to present a unique problem for ML and NAS tools. Instead of a photo of a 3D object, we exploit ML's ability to work across N number of 'colour' channels and use this dimension as a third dimension for images.…”

MSc Personalised Medicine at Ulster University by Steven Watterson (100045)

“…</b> Introducing computational approaches to studying genes, proteins or metabolites, this module teaches Python coding, data analysis and how to work with the databases that support data analysis.…”

Continental-scale impact of bomb radiocarbon affects historical fossil fuel carbon dioxide reconstruction by Jing Li (21564146)

“…</p><p dir="ltr"><b>Source CO2 data (Mauna Loa).xlsx:</b> CO2 data from Mauna Loa (MLO) which belong to Global Greenhouse Gas Reference Network were used in this study as the background CO2 levels, which available from 1970 to 2020 (https://gml.noaa.gov/ccgg/trends/).14</p><p dir="ltr"><b>Statistical analysis code and data (SI table 1-2,4) folder: </b>It contains the python code, source data and results that conducted the statistical analysis. …”

Data Sheet 1_Development and feasibility testing of an AI-powered chatbot for early detection of caregiver burden: protocol for a mixed methods feasibility study.docx by Ravi Shankar (103040)

“…BOTANIC, developed using Python and open-source libraries, will integrate with Telegram and utilize advanced NLP techniques to analyze caregiver conversations and detect signs of burden. …”

Data Sheet 2_Development and feasibility testing of an AI-powered chatbot for early detection of caregiver burden: protocol for a mixed methods feasibility study.docx by Ravi Shankar (103040)

“…BOTANIC, developed using Python and open-source libraries, will integrate with Telegram and utilize advanced NLP techniques to analyze caregiver conversations and detect signs of burden. …”

Data Sheet 4_Development and feasibility testing of an AI-powered chatbot for early detection of caregiver burden: protocol for a mixed methods feasibility study.docx by Ravi Shankar (103040)

“…BOTANIC, developed using Python and open-source libraries, will integrate with Telegram and utilize advanced NLP techniques to analyze caregiver conversations and detect signs of burden. …”

Data Sheet 3_Development and feasibility testing of an AI-powered chatbot for early detection of caregiver burden: protocol for a mixed methods feasibility study.docx by Ravi Shankar (103040)

“…BOTANIC, developed using Python and open-source libraries, will integrate with Telegram and utilize advanced NLP techniques to analyze caregiver conversations and detect signs of burden. …”

Fast, FAIR, and Scalable: Managing Big Data in HPC with Zarr by Alfonso Ladino (21447002)

<b>The abundance of ground-level atmospheric ice-nucleating particles and aerosol properties </b><b>in the North Slope of Alaska</b> by Aidan Pantoya (19416546)

“…An individual method-oriented data abstract is available in metadata for each output sub-folder. All Python codes used for processing input data and generating output data are paired with the readme files and archived in folders. …”

Online Test-time Adaptation for Interatomic Potentials by Cui Taoyong (18076012)

“…LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. …”

Comparison of MODIS and SGLI Albedo Retrievals Over the Sea of Okhotsk (January-May 2021) by Yingzhen Zhou (19723405)

“…The mask uses the same classification scheme as the MODIS mask:<br>• 0: Water<br>• 1: Sea-ice<br>• 2: Sea-covered ice</p><p><br></p><h2>Time Periods Covered:</h2><p dir="ltr"><br>The dataset spans eight weekly time intervals, corresponding to the following periods:</p><p>• 2021-01-08 ~ 2021-01-13<br>• 2021-01-31 ~ 2021-02-06<br>• 2021-02-11 ~ 2021-02-17<br>• 2021-03-05 ~ 2021-03-12<br>• 2021-03-15 ~ 2021-03-20<br>• 2021-04-01 ~ 2021-04-07<br>• 2021-04-22 ~ 2021-04-30<br>• 2021-05-07 ~ 2021-05-12</p><p dir="ltr">Each period represents a weekly aggregate of albedo and surface classification data from both sensors, averaged where valid sea-ice pixels were present.</p><h2>Spatial Coverage:</h2><p dir="ltr">• Latitude: 40° to 64° N<br>• Longitude: 135° to 165° E</p><p><br></p><h2>Format:</h2><p dir="ltr"><br>The dataset is provided in NetCDF format (.nc), which can be read and analyzed using common geospatial and scientific data tools such as Python’s xarray or Panoply.…”

Datasets and Trajectories for Online Test-time Adaptation for Better Generalization of Interatomic Potentials to Out-of-distribution Data by Cui Taoyong (18076012)

“…</i> LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. …”

Landscape Change Monitoring System (LCMS) Conterminous United States Cause of Change (Image Service) by U.S. Forest Service (17476914)

“…Reference data are collected using TimeSync, a web-based tool that helps analysts visualize and interpret the Landsat data record from 1984-present (Cohen et al., 2010).Outputs fall into three categories: change, land cover, and land use. …”