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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

BASIN-3D: A brokering framework to integrate diverse environmental data

Diverse observational and simulation datasets are needed to understand and predict complex ecosystem behavior over seasonal to decadal and century time-scales. Integration of these datasets poses a major barrier towards advancing environmental science, particularly due to differences in the structure and formats of data provided by various sources. Here, we describe BASIN-3D (Broker for Assimilation, Synthesis and Integration of eNvironmental Diverse, Distributed Datasets), a data integration framework designed to dynamically retrieve and transform heterogeneous data from different sources into a common format to provide an integrated view. BASIN-3D enables users to adopt a standardized approach for data retrieval and avoid customizations for the data type or source. We demonstrate the value of BASIN-3D with two use cases that require integration of data from regional to watershed spatial scales. The first application uses the BASIN-3D Python library to integrate time-series hydrological and meteorological data to provide standardized inputs to analytical and machine learning codes in order to predict the impacts of hydrological disturbances on large river corridors of the United States. The second application uses the BASIN-3D Django framework to integrate diverse time-series data in a mountainous watershed in East River, Colorado, United States to enable scientific researchers to explore and download data through an interactive web portal. Thus, BASIN-3D can be used to support data integration for both web-based tools, as well as data analytics using Python scripting and extensions like Jupyter notebooks. The framework is expected to be transferable to and useful for many other field and modeling studies.

Varadharajan, C↗
NASA NTRS2012

IMAGESEER - IMAGEs for Education and Research

IMAGESEER is a new Web portal that brings easy access to NASA image data for non-NASA researchers, educators, and students. The IMAGESEER Web site and database are specifically designed to be utilized by the university community, to enable teaching image processing (IP) techniques on NASA data, as well as to provide reference benchmark data to validate new IP algorithms. Along with the data and a Web user interface front-end, basic knowledge of the application domains, benchmark information, and specific NASA IP challenges (or case studies) are provided.

Le Moigne, Jacqueline↗
NASA NTRS2003

Dedication

The NASA Web portal was exactly what we felt that NASA management wanted: a new face for the Agency., engaging, interactive, and upbeat; a real change from the staid, informational Web site that NASA had already.

Holm, Jeanne M.↗
NASA NTRS2001

Developing Distributed Collaboration Systems at NASA: A Report from the Field

Web-based collaborative systems have assumed a pivotal role in the information systems development arena. While business to customers (B-to-C) and business to business (B-to-B) electronic commerce systems, search engines, and chat sites are the focus of attention, web-based systems span the gamut of information systems that were traditionally confined to internal organizational client server networks. For example, the Domino Application Server allows Lotus Notes (trademarked) uses to build collaborative intranet applications and mySAP.com (trademarked) enables web portals and e-commerce applications for SAP users. This paper presents the experiences in the development of one such system: Postdoc, a government off-the-shelf web-based collaborative environment. Issues related to the design of web-based collaborative information systems, including lessons learned from the development and deployment of the system as well as measured performance, are presented in this paper. Finally, the limitations of the implementation approach as well as future plans are presented as well.

Becerra-Fernandez, Irma↗
NASA NTRS2013

Visualization and Analysis of Multi-scale Land Surface Products via Giovanni Portals

Large volumes of MODIS land data products at multiple spatial resolutions have been integrated into the Giovanni online analysis system to support studies on land cover and land use changes,focused on the Northern Eurasia and Monsoon Asia regions through the LCLUC program. Giovanni (Goddard Interactive Online Visualization ANd aNalysis Infrastructure) is a Web-based application developed by the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC), providing a simple and intuitive way to visualize, analyze, and access Earth science remotely-sensed and modeled data.Customized Giovanni Web portals (Giovanni-NEESPI andGiovanni-MAIRS) have been created to integrate land, atmospheric,cryospheric, and societal products, enabling researchers to do quick exploration and basic analyses of land surface changes, and their relationships to climate, at global and regional scales. This presentation shows a sample Giovanni portal page, lists selected data products in the system, and illustrates potential analyses with imagesand time-series at global and regional scales, focusing on climatology and anomaly analysis. More information is available at the GES DISCMAIRS data support project portal: http:disc.sci.gsfc.nasa.govmairs.

Shen, Suhung↗
NASA NTRS2015

Global Precipitation Measurement (GPM) Mission Products and Services at the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC)

On February 27, 2014, the NASA Global Precipitation Measurement (GPM) mission was launched to provide the next-generation global observations of rain and snow (http:pmm.nasa.govGPM). The GPM mission consists of an international network of satellites in which a GPM Core Observatory satellite carries both active and passive microwave instruments to measure precipitation and serve as a reference standard, to unify precipitation measurements from a constellation of other research and operational satellites. The NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) hosts and distributes GPM data within the NASA Earth Observation System Data Information System (EOSDIS). The GES DISC is home to the data archive for the GPM predecessor, the Tropical Rainfall Measuring Mission (TRMM). Over the past 16 years, the GES DISC has served the scientific as well as other communities with TRMM data and user-friendly services. During the GPM era, the GES DISC will continue to provide user-friendly data services and customer support to users around the world. GPM products currently and to-be available include the following: 1. Level-1 GPM Microwave Imager (GMI) and partner radiometer products. 2. Goddard Profiling Algorithm (GPROF) GMI and partner products. 3. Integrated Multi-satellitE Retrievals for GPM (IMERG) products. (early, late, and final)A dedicated Web portal (including user guides, etc.) has been developed for GPM data (http:disc.sci.gsfc.nasa.govgpm). Data services that are currently and to-be available include Google-like Mirador (http:mirador.gsfc.nasa.gov) for data search and access; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion into various formats (e.g., netCDF, HDF, KML (for Google Earth), ASCII); exploration, visualization, and statistical online analysis through Giovanni (http:giovanni.gsfc.nasa.gov); generation of value-added products; parameter and spatial subsetting; time aggregation; regridding; data version control and provenance; documentation; science support for proper data usage, FAQ, help desk; monitoring services (e.g. Current Conditions) for applications.In this presentation, we will present GPM data products and services with examples.

NASA GES DISC↗
NASA NTRS2014

Global Precipitation Measurement (GPM) Mission Products and Services at the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC)

On February 27, 2014, the NASA Global Precipitation Measurement (GPM) mission was launched to provide the next-generation global observations of rain and snow (http:pmm.nasa.govGPM). The GPM mission consists of an international network of satellites in which a GPM Core Observatory satellite carries both active and passive microwave instruments to measure precipitation and serve as a reference standard, to unify precipitation measurements from a constellation of other research and operational satellites. The NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) hosts and distributes GPM data within the NASA Earth Observation System Data Information System (EOSDIS). The GES DISC is home to the data archive for the GPM predecessor, the Tropical Rainfall Measuring Mission (TRMM). Over the past 16 years, the GES DISC has served the scientific as well as other communities with TRMM data and user-friendly services. During the GPM era, the GES DISC will continue to provide user-friendly data services and customer support to users around the world. GPM products currently and to-be available include the following:Level-1 GPM Microwave Imager (GMI) and partner radiometer productsLevel-2 Goddard Profiling Algorithm (GPROF) GMI and partner productsLevel-3 daily and monthly productsIntegrated Multi-satellitE Retrievals for GPM (IMERG) products (early, late, and final) A dedicated Web portal (including user guides, etc.) has been developed for GPM data (http:disc.sci.gsfc.nasa.govgpm). Data services that are currently and to-be available include Google-like Mirador (http:mirador.gsfc.nasa.gov) for data search and access; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion into various formats (e.g., netCDF, HDF, KML (for Google Earth), ASCII); exploration, visualization, and statistical online analysis through Giovanni (http:giovanni.gsfc.nasa.gov); generation of value-added products; parameter and spatial subsetting; time aggregation; regridding; data version control and provenance; documentation; science support for proper data usage, FAQ, help desk; monitoring services (e.g. Current Conditions) for applications.

precipitation↗
NASA NTRS2015

Global Precipitation Measurement (GPM) Mission Products and Services at the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC)

The NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC) hosts and distributes GPM data within the NASA Earth Observation System Data Information System (EOSDIS). The GES DISC is also home to the data archive for the GPM predecessor, the Tropical Rainfall Measuring Mission (TRMM). Over the past 17 years, the GES DISC has served the scientific as well as other communities with TRMM data and user-friendly services. During the GPM era, the GES DISC will continue to provide user-friendly data services and customer support to users around the world. GPM products currently and to-be available: -Level-1 GPM Microwave Imager (GMI) and partner radiometer products, DPR products -Level-2 Goddard Profiling Algorithm (GPROF) GMI and partner products, DPR products -Level-3 daily and monthly products, DPR products -Integrated Multi-satellitE Retrievals for GPM (IMERG) products (early, late, and final) A dedicated Web portal (including user guides, etc.) has been developed for GPM data (http://disc.sci.gsfc.nasa.gov/gpm). Data services that are currently and to-be available include Google-like Mirador (http://mirador.gsfc.nasa.gov/) for data search and access; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion into various formats (e.g., netCDF, HDF, KML (for Google Earth), ASCII); exploration, visualization, and statistical online analysis through Giovanni (http://giovanni.gsfc.nasa.gov); generation of value-added products; parameter and spatial subsetting; time aggregation; regridding; data version control and provenance; documentation; science support for proper data usage, FAQ, help desk; monitoring services (e.g. Current Conditions) for applications. The United User Interface (UUI) is the next step in the evolution of the GES DISC web site. It attempts to provide seamless access to data, information and services through a single interface without sending the user to different applications or URLs (e.g., search, access, subset, Giovanni, documents).

precipitation↗
NASA NTRS2018

The Small Spacecraft Systems Virtual Institute (S3VI) and NASA's Small Spacecraft Enterprise

The mission of the Small Spacecraft Systems Virtual Institute (S3VI) is to advance the field of small spacecraft systems and allied sciences by promoting innovation, exploring new concepts, identifying emerging technology opportunities, and establishing effective conduits for the collaboration and the dissemination of research results relevant to small spacecraft systems. The S3VI is the common portal for NASA related small spacecraft activities. The portal hosts the Small Spacecraft Body of Knowledge as an online resource for the Small Spacecraft Technology State of the Art report, and reliability processes and practices, among other small spacecraft-focused content. The S3VI's first year activities focused on development of the web portal and investment in collaborative tools to host and support working groups formed to concentrate on a variety of small spacecraft topics such as reliability and access to space. The S3VI serves as the front door for other governmental and non-governmental organizations that wish to collaborate or interact with NASA small spacecraft organizations. NASA presently has a growing number of small spacecraft related programs, projects, and efforts underway to advance the state of the art of small spacecraft instruments, technologies, and missions in order for NASA to achieve its science and exploration goals.

Small spacecraft↗
DOE OSTI2023

Architecture of a Data Portal for Publishing and Delivering Open Data for Atmospheric Measurement

Atmospheric data are collected by researchers every day. Campaigns such as GOAmazon 2014/2015 and the Amazon Tall Tower Observatory collect essential data on aerosols, gases, cloud properties, and meteorological parameters in the Brazilian Amazon basin. These data products provide insights and essential information for analyzing and predicting natural processes. However, in Brazil, it is estimated that more than 80% of the scientific data collected are not published due to the lack of web portals that collect and store these data. This makes it difficult, or even impossible, to access and integrate the data, which can result in the loss of significant amounts of information and significantly affect the understanding of the overall data. To address this problem, we propose a data portal architecture and open data deployment that enable Big Data processing, human interaction, and download-oriented approaches with tools that help users catalog, publish and visualize atmospheric data. Thus, we describe the architecture developed, based on the experience of the Atmospheric Radiation Measurement Data Center, which incorporates the principles of FAIR, the infrastructure and content management system for managing scientific data. The portal partial results were tested with environmental data from contaminated areas at the University of São Paulo. Overall, this data portal creates more shared knowledge about atmospheric processes by providing users with access to open environmental data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

HarDWR - Raw Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. In order to hold a water right in the western United States, an entity, (e.g., an individual, corporation, municipality, sovereign government, or non-profit) must register a physical document with the state's water regulatory agency. State water agencies each maintain their own database containing all registered water right documents within the state, along with relevant metadata such as the point of diversion and place of use of the water. All western U.S. states have digitized their individual water rights databases, along with the geospatial data describing the spatial units where water rights are managed. Each state maintains and provides their own water rights data in accordance with individual state regulations and standards. We collected water rights databases from 11 western United States states either by downloading them from publicly accessible web portals, or by contacting state water management representatives; detailed descriptions of where and when the data was collected is provided in the README.txt, as well as Lisk et al.(in review). This collection of data are those raw water rights. Each state formats their data differently, meaning that file types, field availability, and names vary from state to state. Note, the data provided here reflects the state of the water rights databases at the time we collected the data; updates have likely occurred in many states. Some pieces of information are common among all states. These are: priority date, volume or flow of water allowed by the right, stated water use of the right, and some means of identifying the geography and source of the water pertaining to the right - typically the coordinates of the Point of Diversion (PoD) of a waterbody or well. Arizona regulates water in a different way than the other 10 states. Outside of some relatively small critical agricultural areas called Active Management Areas (AMAs), Arizona does not maintain any water rights. However, the state does require registration of surface and groundwater pumping devices, which includes disclosing the mechanical specifics of the devices. We used these records as a proxy for water rights. Each state, and their respective water right authorities, have made their water right records available for non-commercial reference uses. In addition, the states make no guarantees as to the completeness, accuracy, or timeliness of their respective databases, let alone the modifications which we, the authors of this paper, have made to the collected records. None of the states should be held liable for using this data outside of its intended use. In addition, the following states have requested specifically worded disclaimers to be included with their data. Colorado: "The data made available here has been modified for use from its original source, which is the State of Colorado. THE STATE OF COLORADO MAKES NO REPRESENTATIONS OR WARRANTY AS TO THE COMPLETENESS, ACCURACY, TIMELINESS, OR CONTENT OF ANY DATA MADE AVAILABLE THROUGH THIS SITE. THE STATE OF COLORADO EXPRESSLY DISCLAIMS ALL WARRANTIES, WHETHER EXPRESS OR IMPLIED, INCLUDING ANY IMPLIED WARRANTIES OF MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE. The data is subject to change as modifications and updates are complete. It is understood that the information contained in the Web feed is being used at one's own risk." Montana: "The Montana State Library provides this product/service for informational purposes only. The Library did not produce it for, nor is it suitable for legal, engineering, or surveying purposes. Consumers of this information should review or consult the primary data and information sources to ascertain the viability of the information for their purposes. The Library provides these data in good faith but does not represent or warrant its accuracy, adequacy, or completeness. In no event shall the Library be liable for any incorrect results or analysis; any direct, indirect, special, or consequential damages to any party; or any lost profits arising out of or in connection with the use or the inability to use the data or the services provided. The Library makes these data and services available as a convenience to the public, and for no other purpose. The Library reserves the right to change or revise published data and/or services at any time." Oregon: "This product is for informational purposes and may not have been prepared for, or be suitable for legal, engineering, or surveying purposes. Users of this information should review or consult the primary data and information sources to ascertain the usability of the information." The available data is provided as a series of compressed files, which each containing the full data collected from each state. Some of the files have been renamed, to more easily know which state the data belongs to. The file renaming was also required as some files from different states had the same name. In other cases, the data for a state has been placed in a folder indicating which state it belongs to - as the state organized its data by selected subregions. Below is a brief description of the format of the collected data from each state. ArizonaRights_StatementOfClaimants: A folder containing a database of interconnected CSV files. The soc_erd.pdf file contains a visual flowchart of how the various files are connected, beginning with SOC_MAIN.csv in the center of the page. ArizonaRights_SurfaceWaterRightsData: A folder containing a database of a single Shapefile and 10 associated CSVs. SurfaceWater.pdf contains a visual flowchart of how the various files are connected, beginning with ADWR_SW_APPL_REGRY.csv. ArizonaRights_Well55Registry: A folder containing a database of a single Shapefile and 59 associated CSVs. Wells55.pdf contains a visual flowchart of how the various files are connected, beginning with WellRegistry.shp. CaliforniaRights_eWRIMS_directDatabase: A folder containing a collection of four "series" Microsoft Excel files, as either XLS or XLSX. The four "series": byCounty, byEntity (what type of legal entity holds the right), byUse (stated water use), and byWatershed, are various methods by which the California water rights are organized within the state's database. However, it was observed that by only collecting a single series, not all water rights were being provided. So, essentially, the majority of records within each "series" are copies of each other, with each "series" containing some unique records. ColoradoRights_NetAmounts: A folder containing 78 CSV files, with one file per Colorado Water District. IdahoRights_PointOfDiversion: A Shapefile containing the Points of Diversion for the entire state of Idaho. IdahoRights_PlaceOfUse: A Shapefile containing the Place of Use polygons for the entire state of Idaho. MontanaRights_WaterRights: A Geodatabase file containing the Points of Diversion and Places of Use for the entire state of Montana. The name of the Points of Diversion Feature Layer within the Geodatabase is "WRDIV", and the name of the Places of Use Feature Layer is "WRPOU". NevadaRights_POD_Sites: A Shapefile containing the Points of Diversion for the entire state of Nevada. NewMexicoRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of New Mexico. OregonRights_state_shp: A folder containing 36 Shapefiles and are split between "pod" (Point of Diversion) and "pou" (Place of Use) for each water management basin within Oregon. In other words, each basin has one "pod" file and one "pou" file. The "pod" files are point shapes, and the "pou" files are polygons. UtahRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of Utah. WashingtonRights_WaterDiversions_ECY_NHD: A Geodatabase file containing both the Points of Diversion for the entire state of Washington. The name of the Feature Layer within the Geodatabase is "WaterDiversions_ECY_NHD". WyomingRights: A folder containing four subdirectories, one for each Wyoming Water Division. Each Division directory includes a varying number of subdirectories for each Wyoming Water District. Each District folder contains two copies of the Point of Diversion records for that area, with one copying being in CSV and one copy in Microsoft Excel XLS format.

Lisk, Matthew↗
DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗
DOE OSTI2026

RCSB protein data Bank: Next‐generation advanced search for exploration of experimental structures and computed structure models

Abstract The Protein Data Bank (PDB), established in 1971, is the primary global, open‐access archive for experimentally determined 3D macromolecular structures (proteins, RNA, DNA). The research‐focused RCSB.org web‐portal provides access to these data alongside more than one million machine‐learning‐predicted structure models, greatly expanding the available structural landscape. Rapid growth of both experimental and computational structures has increased the need for powerful yet accessible search tools that serve a broad and diverse scientific community. Herein, we describe a redesigned RCSB Protein Data Bank RCSB.org Advanced Search capability that supports intuitive discovery of 3D structures through a unified interface. This interface integrates annotation‐, sequence‐, and 3D structure‐based searches, embeds an interactive 3D viewer, and incorporates curated biological knowledge, such as catalytic site definitions from Mechanism and Catalytic Site Atlas and ligand‐guided structural motifs, for constructing geometry‐driven queries. A new Chemical Search tool allows definition of chemical queries via an integrated drawing tool or standard identifiers, seamlessly combining them with annotation filters. By allowing query definition directly within spatial and chemical contexts, these search interfaces reduce the need for detailed knowledge of residue numbering, chain identifiers, or external cheminformatics software. This capability enables efficient exploration of structures, chemical diversity, and structure–function relationships across all life domains. The redesigned interfaces can be accessed directly at rcsb.org/search/advanced for Advanced Search and rcsb.org/search/chemical for Chemical Search.

Rose, Yana [Research Collaboratory for Structural ↗
DOE OSTI2022

What you get is not always what you see—pitfalls in solar array assessment using overhead imagery

Effective integration planning for small, distributed solar photovoltaic (PV) arrays into electric power grids requires access to high quality data: the location and power capacity of individual solar PV arrays. Unfortunately, national databases of small-scale solar PV do not exist; those that do are limited in their spatial resolution, typically aggregated up to state or national levels. While several promising approaches for solar PV detection have been published, strategies for evaluating the performance of these models are often highly heterogeneous from study to study. The resulting comparison of these methods for practical applications for energy assessments becomes challenging and may imply that the reported performance evaluations overly optimistic. The heterogeneity comes in many forms, each of which we explore in this work: the degree of diversity of the locations and sensors (e.g. different satellites, aerial photography) from which the training and validation data originate, the validation of ground truth (manual annotation of imagery vs known solar PV locations), the level of spatial aggregation (e.g. array-level vs regional estimates), and inconsistencies in the training and validation datasets (e.g. different datasets are used for each study and those data are not always made accessible). For each, we discuss emerging practices from the literature to address them or suggest directions of future research. As part of our investigation, we evaluate solar PV identification performance in two large regions: the entire state of Connecticut and the city of San Diego, CA. In Connecticut, we also use 33,114 known parcel-level solar PV installations from Berkeley Lab’s Tracking the Sun dataset to evaluate parcel-level performance and evaluate capacity estimates using 169 municipalities. We also make our code (which we call SolarMapper), pre-trained models, training data, and predictions publicly available and provide a web portal for interactively inspecting each prediction that was made. Here our findings suggest that traditional performance evaluation of the automated identification of solar PV from satellite imagery may be optimistic due to common limitations in the validation process. The takeaways from this work are intended to inform and catalyze the large-scale practical application of automated solar PV assessment techniques by energy researchers and professionals.

14 SOLAR ENERGY↗
DOE OSTI2026

Cross-domain digital twin architecture for predictive maintenance via machine learning and Large Language Models

This research introduces a comprehensive framework for creating and deploying a digital twin platform for continuous monitoring and predictive maintenance within industrial settings. Through utilizing advanced technologies, including Unreal Engine 5, Unity 3D, the Message Queue Telemetry Transport protocol, Random Forest machine learning algorithms, and Large Language Models (LLMs), we establish a platform that digitally reproduces physical equipment and translates digital controls into real-world actions. This facilitates preventive maintenance approaches and improves operational effectiveness. The digital twin platform gathers sensor data from operational equipment, analyzes it using machine learning, and delivers practical insights to prevent potential malfunctions and enhance equipment performance. Furthermore, the incorporation of a web portal enables efficient monitoring and access to historical data, educational materials, and equipment status information. Preliminary findings indicate that digital twins can transform industrial equipment management and maintenance methodologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

rcsb-api : Python Toolkit for Streamlining Access to RCSB Protein Data Bank APIs

The Protein Data Bank (PDB) was founded in 1971 as the first open-access digital data resource in biology to serve as the single global archive for three-dimensional (3D) macromolecular structure data. Current PDB holdings exceed 230,000 experimentally determined structures of proteins, nucleic acids, viruses, and macromolecular machines. The RCSB Protein Data Bank RCSB.org research-focused web portal facilitates search, analyses, and visualization of every PDB structure along with more than one million Computed Structure Models from AlphaFold DB and the ModelArchive. It is powered by a set of publicly available Application Programming Interfaces (APIs) that both support RCSB.org users and provide programmatic access to PDB data. Given the breadth and levels of granularity encompassed in this rich data collection, efficiently accessing the information programmatically may be challenging for new users. RCSB PDB has developed a Python software package, rcsb-api , that facilitates easy and efficient use of RCSB PDB APIs within a Python environment. This software tool is designed to streamline access to the extensive corpus of data housed within the PDB, enabling researchers to search, retrieve, and analyze 3D biostructure data seamlessly. Its use will accelerate research in structural biology, molecular biology and biochemistry, drug discovery, and bioinformatics by providing more efficient tools for data integration and analysis. The new toolkit is available on GitHub (github.com/rcsb/py-rcsb-api) and published to the public Python package repository (PyPI) to foster wider usage and support basic and applied research in fundamental biology, biomedicine, and the energy sciences.

FAIR principles↗
DOE OSTI2024

A mapped dataset of surface ocean acidification indicators in large marine ecosystems of the United States

Mapped monthly data products of surface ocean acidification indicators from 1998 to 2022 on a 0.25° by 0.25° spatial grid have been developed for eleven U.S. large marine ecosystems (LMEs). The data products were constructed using observations from the Surface Ocean CO 2 Atlas, co-located surface ocean properties, and two types of machine learning algorithms: Gaussian mixture models to organize LMEs into clusters of similar environmental variability and random forest regressions (RFRs) that were trained and applied within each cluster to spatiotemporally interpolate the observational data. The data products, called RFR-LMEs, have been averaged into regional timeseries to summarize the status of ocean acidification in U.S. coastal waters, showing a domain-wide carbon dioxide partial pressure increase of 1.4 ± 0.4 μatm yr -1 and pH decrease of 0.0014 ± 0.0004 yr -1 . RFR-LMEs have been evaluated via comparisons to discrete shipboard data, fixed timeseries, and other mapped surface ocean carbon chemistry data products. Regionally averaged timeseries of RFR-LME indicators are provided online through the NOAA National Marine Ecosystem Status web portal.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Updates to the Alliance of Genome Resources central infrastructure

The Alliance of Genome Resources (Alliance) is an extensible coalition of knowledgebases focused on the genetics and genomics of intensively studied model organisms. The Alliance is organized as individual knowledge centers with strong connections to their research communities and a centralized software infrastructure, discussed here. Model organisms currently represented in the Alliance are budding yeast, Caenorhabditis elegans, Drosophila, zebrafish, frog, laboratory mouse, laboratory rat, and the Gene Ontology Consortium. The project is in a rapid development phase to harmonize knowledge, store it, analyze it, and present it to the community through a web portal, direct downloads, and application programming interfaces (APIs). Here, we focus on developments over the last 2 years. Specifically, we added and enhanced tools for browsing the genome (JBrowse), downloading sequences, mining complex data (AllianceMine), visualizing pathways, full-text searching of the literature (Textpresso), and sequence similarity searching (SequenceServer). We enhanced existing interactive data tables and added an interactive table of paralogs to complement our representation of orthology. To support individual model organism communities, we implemented species-specific “landing pages” and will add disease-specific portals soon; in addition, we support a common community forum implemented in Discourse software. We describe our progress toward a central persistent database to support curation, the data modeling that underpins harmonization, and progress toward a state-of-the-art literature curation system with integrated artificial intelligence and machine learning (AI/ML).

59 BASIC BIOLOGICAL SCIENCES↗