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40 results for “design framework”
BIObec.WP2. T2.1. BBEC Framework Design.
<p>This dataset contains Deliverable 2.1 from the BIObec project and includes</p> <ol> <li>Desk Research to create an INVENTORY OF BEST PRACTICE to inform and enhance BBEC design</li> <li>Creation of a comprehensive CENTRE READINESS LEVEL FRAMEWORK SURVEY to inform the BBEC co-creation workshops and future centre design</li> </ol> <p>All 19 BIObec consortium partners submitted at least one example of best practice in education and/or industry and circa 30 best practice examples have been collected showcasing examples from a European and international perspective. Based on the inputs from the Inventory of Best Practice a survey has been created to profile the capabilities of the six BBEC locations and highlight opportunities for collaboration that will support BBEC design. This survey comprises 22 questions and was administered to all 19 partners with an accompanying guidance document - these activities provide the basis for T2.2 and T2.3 of WP2. </p> <p> </p>
Inverse design of metal-organic frameworks for direct air capture of CO2 via deep reinforcement learning
<p>The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the ever-expanding and nearly infinite chemical space of MOFs makes it extremely challenging to identify the most optimal materials for a given application. In this work, we present a novel approach using deep reinforcement learning for the inverse design of MOFs, our motivation being designing promising materials for the important environmental application of direct air capture of CO2 (DAC). We demonstrate that the reinforcement learning framework can successfully design MOFs with critical characteristics important for DAC. Our top-performing structures populate two separate subspaces of the MOF chemical space: the subspace with high CO2 heat of adsorption and the subspace with preferential adsorption of CO2 from humid air, with few structures having both characteristics. Our model can thus serve as an essential tool for the rational design and discovery of materials for different target properties and applications.</p>
Designing With: AI, ML and DV - Interactive Framework Tools Dataset
<p>This dataset presents a compilation of 182 AI tools, specifically designed for incorporation into design education. The collection was meticulously assembled through a process of rigorous mining of existing internet repositories and academic literature, resulting in a diverse array of AI tools that are applicable to a multitude of design methodologies.</p>
Figure 2 in Towards a framework for invasive aquatic plant survey design in Great Lakes coastal areas
Figure 2. Sample units surveyed by year (points indicate sample unit centroids). Milwaukee, 2017–2019 (A–C), Cleveland 2017, 2019 (D, E), St Joseph River 2017 (F), Detroit River 2018, 2019 (G, H), Saginaw River 2018 (I).
Figure 3 in Towards a framework for invasive aquatic plant survey design in Great Lakes coastal areas
Figure 3. Species-effort curves for each site, showing number of observed species (Sobs) and average species-effort curve (solid line) with 95% confidence interval (CI, dashed lines). The level of effort required to sample the estimated species total (Sasym; error bars show 95% CI) and 95% (S95%) of Sasym are indicated. Milwaukee (A–C, 2017–2019; D, combined), Cleveland (E, combined data), Detroit River (F, combined data), Saginaw River (G), St Joseph River (H).
Electronic Structure Data for "Design of Covalent Organic Frameworks through on-the-fly Batch-based Bayesian Optimization"
<p>This is a dataset of 1736 potential building blocks for the construction of covalent organic frameworks (COF). Electronic structures were calculated with the GFN1-xTB tight binding DFT approach as implemented in the xTB package (v6.2.3). The dataset contains all necessary inputs and outputs from these calculations. Structures were optimised with xTB's internal normal coordinate rational function optimizer (ANCopt) at the default geometry convergence criterion.</p> <p>The dataset contains calculations for two major parameters determining the suitability of the resulting COFs as an organic semiconductor, specifically, the approximate energy alignment of the homo level and the reorganization free energy.</p>
Raw data for "A Composite Bayesian Optimisation Framework for Material and Structural Design under Uncertainty"
<p>This dataset contains the raw data for the paper "A Composite Bayesian Optimisation Framework for Material and Structural Design under Uncertainty" (submitted) by R. P. Cardoso Coelho, A. F. Carvalho Alves, T. M. Nogueira Pires and F. M. Andrade Pires (INEGI and Faculty of Engineering of the University of Porto, Portugal).</p> <p> </p> <p>The data has been generated with the development branch of piglot - an open-source optimisation toolbox (https://github.com/CM2S/piglot). The numerical simulations have been conducted with both an in-house finite element solver (Links) and with the open-source SCA implementation CRATE (https://github.com/bessagroup/CRATE).</p>
A parametric life cycle framework to promote sustainable-by-design product development: Application to a hydrogen production technology
<p>The European Ecodesign Directive is an effective normative framework that has been extensively proven to support the energy transition of numerous European industrial sectors. From an analytical standpoint, it provides practitioners with the EcoReport tool, a simplified life cycle spreadsheet that is aimed at guiding the development of ecodesign measures of mandatory compliance in European countries. In this regard, several studies have highlighted the limitations of the EcoReport tool when addressing emerging technologies like those tied to the hydrogen sector. These works also propose to further integrate material criticality and social metrics in order to enlarge the scope of the European Directive and foster the shift from ecodesign to sustainable-by-design product development. In this situation, building upon the principles of the EcoReport tool and recognizing the outcomes of the aforementioned critical analyses, the conceptualization of a novel sustainable-by-design framework is presented and applied to a Solid Oxide Electrolysis Cell (SOEC) stack for hydrogen production. The operationalization of the framework is conducted, for the first time in the context of sustainable design, by combining the use of the <em>Brightway2</em> and <em>lca_algebraic</em> Python packages. Overall, the proposed approach succeeds in providing a complete sustainability perspective to the design of emerging technologies. Regarding the tangible lessons learned on the hydrogen-related case study, product concepts are proven to progressively improve the sustainability performance of the technology. It is noticeable that the enhancement of the economic competitivity is more limited than that achieved at the remaining sustainability indicators (i.e., environmental, social and material criticality metrics). In line with the outcomes of the life cycle contribution assessment, multi-criteria decision analysis ratings lead to concluding that a sustainable-by-design SOEC stack product concept should prioritize limiting its material intensity.</p>
Data for The Design and Formalization of an Embodied Soundscape Sonification Framework
<p>This repository contains evaluation data ane experimental stimuli for the paper :The Design and Formalization of an Embodied Soundscape Sonification Framework.</p>
Data from an experiment on the effects of using an experimental framework on the quality of research designs
Open the record for dataset details and reuse information.
Dataset supporting publication: Design Framework and Laboratory Experiments for Helix and Slinky Type Ground Source Heat Exchangers for Retrofitting Projects
<p>Dataset supporting publication: “Design Framework and Laboratory Experiments for Helix and Slinky Type Ground Source Heat Exchangers for Retrofitting Projects” (publication available for download: <a href="https://zenodo.org/record/7436458">GEOFIT Zenodo</a>).</p> <p>The focus of the experimental work was on shallow spiral geothermal heat exchanger configurations. Real-scale experiments were carried out for vertically oriented spiral collectors (helix) in sand and soil. One objective was to develop a measurement concept in laboratory environment to create a framework for a validated database. This database serves as the basis for further and new development of engineering design tools. To achieve the highest possible data-point density in the observed environment, temperature sensors and a fiber-optic temperature measurement system (DTS) were used. Soil probes were taken in situ before and after the measurements and analyzed at a thermophysical laboratory to determine material properties. The heat flow was controlled by an electric heating cable, which was installed in the form of a spiral-shaped heat exchanger in a 1 m³ container. To guarantee constant boundary conditions, the measurements were carried out in a climate chamber at a defined ambient temperature. The evaluation of the transient response behavior is spatially resolved. The results are coordinate-based temperature points, which describe temperature gradients in all axes of the container over time, which are combined with known soil properties. The collected data was used to develop computational fluid dynamic (CFD) models, which are used to extend the variety of geometry and soil configurations for developing new design tools.</p>
Dataset for AlphaDesign: A de novo protein design framework based on AlphaFold
<p>This dataset consists of output data from the work reported in: </p> <p>Jendrusch, M., Korbel, J. O., & Sadiq, S. K. (2021). AlphaDesign: A de novo protein design framework based on AlphaFold. bioRxiv.</p> <p> </p> <p> </p>
Data of "Ductile fracture of high entropy alloys: from the design of an experimental campaign to the development of a micromechanics-based modeling framework"
<p>Data related to the publication (we would be grateful if you could cite the paper in the case in which you are using the data):</p> <p>title = "Ductile fracture of high entropy alloys: from the design of an experimental campaign to the development of a micromechanics-based modeling framework",<br> journal = "Engineering Fracture Mechanics",<br> year = "2022",<br> volume = "275",<br> pages = "108844 ",<br> doi = "https://doi.org/10.1016/j.engfracmech.2022.108844",<br> author = "Antoine Hilhorst, Julien Leclerc, Thomas Pardoen, Pascal J. Jacques, Ludovic Noels, Van-Dung Nguyen"</p> <p>New version following review.</p> <p> </p> <p> </p>
Node-Pore Coded Coincidence Correcting Microfluidic Channel Framework: Code Design and Sparse Deconvolution
<p>This is the dataset for the work titled and authored by:</p> <p><strong>Node-Pore Coded Coincidence Correcting Microfluidic Channel Framework: Code Design and Sparse Deconvolution</strong></p> <p>Michael Kellman, Francois Rivest, Alina Pechacek, Lydia Sohn, Michael Lustig</p> <p>We present a novel method to perform individual particle (e.g. cells or viruses) coincidence correction through joint channel design and algorithmic methods. Inspired by multiple-user communication theory, we modulate the channel response, with Node-Pore Sensing, to give each particle a binary Barker code signature. When processed with our modified successive interference cancellation method, this signature enables both the separation of coincidence particles and a high sensitivity to small particles. We identify several sources of modeling error and mitigate most effects using a data-driven self-calibration step and robust regression. Additionally, we provide simulation analysis to highlight our robustness, as well as our limitations, to these sources of stochastic system model error. Finally, we conduct experimental validation of our techniques using several encoded devices to screen a heterogeneous sample of several size particles.</p> <p>Software can be found under this DOI:</p> <p>10.5281/zenodo.846448</p>
Dataset to reproduce the paper "A new framework to evaluate urban design using urban microclimatic modelling in future climatic conditions"
<p>This dataset has been generated with the paper " A new framework to evaluate urban design using urban microclimatic<br> modelling in future climatic conditions" (https://doi.org/10.3390/su10041134). A Python notebook is also included to conduct the analysis.</p> <ol> <li>Data analysis - Sustainability paper.ipynb : Python notebook</li> <li>Geneva_Eur11_TDY_2010_2039 : Climate file for the year 2039 obtained from RCA4</li> <li>Geneva_Eur11_TDY_2010_2039_cim : Climate file for the year 2039 obtained from RCA4-CIM</li> <li>Geneva_Eur11_TDY_2010_2039 : Climate file for the year 2069 obtained from RCA4</li> <li>Geneva_Eur11_TDY_2010_2069_cim : Climate file for the year 2069 obtained from RCA4-CIM</li> <li>Geneva_Eur11_TDY_2010_2099 : Climate file for the year 2099 obtained from RCA4</li> <li>Geneva_Eur11_TDY_2010_2099_cim : Climate file for the year 2099 obtained from RCA4-CIM</li> <li>heating_2039 : Heating demand from CitySim for the year 2039</li> <li>heating_2039_cim : Heating demand from CitySim-CIM for the year 2039</li> <li>heating_2069 : Heating demand from CitySim for the year 2069</li> <li>heating_2069_cim : Heating demand from CitySim-CIM for the year 2069</li> <li>heating_2099 : Heating demand from CitySim for the year 2099</li> <li>heating_2099_cim : Heating demand from CitySim-CIM for the year 2099</li> <li>heating_2099_minP : Heating demand from CitySim for the year 2099 with Minergie-P scenario</li> <li>heating_2099__minP_cim : Heating demand from CitySim-CIM for the year 2099 with Minergie-P scenario</li> <li>cooling_2039 : Cooling demand from CitySim for the year 2039</li> <li>cooling_2039_cim : Cooling demand from CitySim-CIM for the year 2039</li> <li>cooling_2069 : Cooling demand from CitySim for the year 2069</li> <li>cooling_2069_cim : Cooling demand from CitySim-CIM for the year 2069</li> <li>cooling_2099 : Cooling demand from CitySim for the year 2099</li> <li>cooling_2099_cim : Cooling demand from CitySim-CIM for the year 2099</li> <li>cooling_2099_minP : Cooling demand from CitySim for the year 2099 with Minergie-P scenario</li> <li>cooling_2099__minP_cim : Cooling demand from CitySim-CIM for the year 2099 with Minergie-P scenario</li> <li>temp_cim : simulated temperature from CIM using Meteonorm</li> <li>temp_meteonorm : temperature from Meteonorm</li> <li>u_cim : simulated wind speedfrom CIM using Meteonorm</li> <li>u_meteonorm : wind speed from Meteonorm</li> </ol> <p> </p>
A Comprehensive Reliability-Based Framework for Corrosion Damage Monitoring and Repair Design of Reinforced Concrete Structures
<p>Corresponding data set for Tran-SET Project No. 17STLSU03. Abstract of the final report is stated below for reference:</p> <p>"In this work, we developed a comprehensive framework for corrosion management of reinforced concrete (RC) structures. This framework includes critical steps of an effective approach to quantify the damage evolution as well as providing the timeframe for effective maintenance/repair strategies for corrosion assessment in RC structures. The framework included several activities including the use of indirect and direct inspection tools, theoretical development for damage prediction, experimental measurements and theoretical development of repair time based on reliability. The uniqueness of the framework is the integration of deterministic modeling of corrosion damage evolution by using mechanistic analysis with statistical modeling on corrosion of RC structures by using measurements from the field (or natural environment) and experimental testing (in the laboratory). The framework includes a simple algorithm that relies in each development and task generated from this work to monitor and estimate the status of the reinforced concrete structures and the most suitable strategy to extend the life of the system while maximizing the reliability."</p>
Supplementary materials - Exploring a Framework for Assessing the Socio-Ecological Performance of Systems Design
<p>Supplementary materials for the paper presented for the Cirp LCE Conference 2025: Exploring a Framework for Assessing the Socio-Ecological Performance of Systems Design</p>
Coarse-Grained and Multi-Dimensional Data-Driven Molecular Generation: A Structure-Based Framework for Selective Inhibitor Design and Optimization
<p><span>Many approaches not only fail to consider the intricate binding pocket interactions, leading to molecules with suboptimal properties and stability, but also struggle with designing selective inhibitors. To address this challenge, we have developed an innovative structure-based three-dimensional molecular generation framework named </span><span>Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein complex data with two-dimensional drug-like molecule data by utilizing coarse-grained pharmacophore points sampled from diffusion models, thereby enriching the training data for generative models.</span> <span>Through a hierarchical architecture, it decomposes the generation of three-dimensional molecules within the pocket into sampling of coarse-grained pharmacophore points, generating of chemical structures, and alignment of conformations, avoiding the instability issues associated with inherent in deep generative model-based generation of molecular conformations.<br><br>This project provide the source dataset used to train and evaluate the overall model.<br></span></p>
Theoretical Design and Synthesis of Metal-Inorganic Frameworks Using Host Atom-Centered Building Blocks for Efficient Catalysis with Diverse Reactive Sites
<p><strong>ML_ABN</strong> is a necessary file for training machine learning potentials using VASP. It contains the structural details and energies of the training set. <strong>ML_FFN</strong> is the force field file obtained after training. <strong>Test_DataSet.zip</strong> contains the test set with 900 structures, and <strong>Test_DataSet_Energy.xlsx</strong> stores the energies of these structures after being evaluated by DFT.</p>
Raw data files for "A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks" manuscript
<p>Raw data files for a manuscript "A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks".</p> <p>All files are organized by instrumental methods, except Figure 1 in the manuscript and Figure S1, S52 in the SI, plots for which are reported as separate files. The file headers contain the necessary information such as column designations, units, etc.</p> <p> </p>
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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.