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Found 244 result(s)
Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science. The Chempound software is hosted at and is available under the Apache License, Version 2.0
The DOE Data Explorer (DDE) is an information tool to help you locate DOE's collections of data and non-text information and, at the same time, retrieve individual datasets within some of those collections. It includes collection citations prepared by the Office of Scientific and Technical Information, as well as citations for individual datasets submitted from DOE Data Centers and other organizations.
GeoReM is a Max Planck Institute database for reference materials of geological and environmental interest, such as rock powders, synthetic and natural glasses as well as mineral, isotopic, biological, river water and seawater reference materials. GeoReM contains published analytical data and compilation values (major and trace element concentrations and mass fractions, radiogenic and stable isotope ratios). GeoReM contains all important metadata about the analytical values such as uncertainty, analytical method and laboratory. Sample information and references are also included. GeoReM complements the three earthchem databases: GEOROC, NAVDAT and PETDB.
The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
The Department of Energy (DOE) Joint Genome Institute (JGI) is a national user facility with massive-scale DNA sequencing and analysis capabilities dedicated to advancing genomics for bioenergy and environmental applications. Beyond generating tens of trillions of DNA bases annually, the Institute develops and maintains data management systems and specialized analytical capabilities to manage and interpret complex genomic data sets, and to enable an expanding community of users around the world to analyze these data in different contexts over the web. The JGI Genome Portal provides a unified access point to all JGI genomic databases and analytical tools. A user can find all DOE JGI sequencing projects and their status, search for and download assemblies and annotations of sequenced genomes, and interactively explore those genomes and compare them with other sequenced microbes, fungi, plants or metagenomes using specialized systems tailored to each particular class of organisms. Databases: Genome Online Database (GOLD), Integrated Microbial Genomes (IGM), MycoCosm, Phytozome
<<<<!! The database is archived: !!>>>> MolTable: An Open Access (Molecule Table) Portal for "Advanced Chemoinformatics Research, Training and Services"
---<<< This repository is no longer available. This record is out-dated >>>--- The ONS challenge contains open solubility data, experiments with raw data from different scientists and institutions. It is part of the The Open Notebook Science wiki community, ideally suited for community-wide collaborative research projects involving mathematical modeling and computer simulation work, as it allows researchers to document model development in a step-by-step fashion, then link model prediction to experiments that test the model, and in turn, use feeback from experiments to evolve the model. By making our laboratory notebooks public, the evolutionary process of a model can be followed in its totality by the interested reader. Researchers from laboratories around the world can now follow the progress of our research day-to-day, borrow models at various stages of development, comment or advice on model developments, discuss experiments, ask questions, provide feedback, or otherwise contribute to the progress of science in any manner possible.
nmrshiftdb is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software.
In February 1986 the NIST measurements were communicated to appropriate astronomers for use in ground-based testing and calibration programs for the GHRS, and in 1990 the NIST group published the new wavelengths for about 3000 lines in the Supplement Series of the Astrophysical Journal. The full report on the NIST measurements in the form of a complete and detailed atlas of the platinum/neon spectrum presented in this special issue of the Journal of Research of NIST will be highly useful to a wide range of scientists.
BSRN is a project of the Radiation Panel (now the Data and Assessment Panel) from the Global Energy and Water Cycle Experiment (GEWEX) under the umbrella of the World Climate Research Programme (WCRP). It is the global baseline network for surface radiation for the Global limate Observing System (GCOS), contributing to the Global Atmospheric Watch (GAW), and forming a ooperative network with the Network for the Detection of Atmospheric Composition Change NDACC).
Online materials database (known as PAULING FILE project) with nearly 2 million entries: physical properties, crystal structures, phase diagrams, available via API, ready for modern data-intensive applications. The source of these entries are about 300,000 peer-reviewed publications in materials science, processed during the last 16 years by an international team of PhD editors. The results are presented online with a quick search interface. The basic access is provided for free.
The Durham High Energy Physics Database (HEPData), formerly: the Durham HEPData Project, has been built up over the past four decades as a unique open-access repository for scattering data from experimental particle physics. It currently comprises the data points from plots and tables related to several thousand publications including those from the Large Hadron Collider (LHC). The Durham HepData Project has for more than 25 years compiled the Reactions Database containing what can be loosly described as cross sections from HEP scattering experiments. The data comprise total and differential cross sections, structure functions, fragmentation functions, distributions of jet measures, polarisations, etc... from a wide range of interactions. In the new HEPData site (, you can explore new functionalities for data providers and data consumers, as well as the submission interface. HEPData is operated by CERN and IPPP at Durham University and is based on the digital library framework Invenio.
Search and access 201 data sets covering the Atmosphere, Ocean, Land and more. Explore climate indices, reanalyses and satellite data and understand their application to climate model metrics. This is the only data portal that combines data discovery, metadata, figures and world-class expertise on the strengths, limitations and applications of climate data.
The Alberta Food Composition Database (AFCDB) is the first comprehensive resource on food constituents, chemistry and biology dedicated to major Alberta-grown produce. It provides information on both macronutrients and micronutrients, including many of the constituents that give foods their flavor, color, taste, texture and aroma. Users can view the contents of the AFCDB from the “FoodView” (listing foods by their chemical composition) or the “ChemView” (listing chemicals by their food sources).
Three parts of a database provide published and unpublished chemical analysis results of archaeological ceramics. These are the results of forty years of applying WD-XRF and other mineralogical and physical laboratory methods to the analysis of sherds from excavations and museums. Drawing on some 30,000 analyses from research projects in Europe, Turkey, the near East, and Sudan, the part published here covers the results of three long-term projects: Early pottery in Thessaly, Greece (1,305 records), Firmalampen and other Roman lamps (1,666 records), and Roman and other pottery produced in Central Europe (4,043 records). This collated information provides an opportunity to work directly on published and unpublished data. These can be used as chemical reference groups for comparison for fine ware classification and in provenance studies.
The Environmental Data Initiative Repository concentrates on studies of ecological processes that play out at time scales spanning decades to centuries including those of the NSF Long Term Ecological Research (LTER) program, the NSF Macrosystems Biology Program, the NSF Long Term Research in Environmental Biology (LTREB) program, the Organization of Biological Field Stations, and others. The repository hosts data that provide a context to evaluate the nature and pace of ecological change, to interpret its effects, and to forecast the range of future biological responses to change.
The Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) onboard the ENVISAT satellite provided atmospheric infrared limb emission spectra. From these, profiles of temperature and atmospheric trace gases were retrieved using the research data processor developed at the Institut für Meteorologie und Klimaforschung (IMK), which is complemented by the component of non-local thermodynamic equilibrium (non-LTE) treatment from the Instituto de Astrofísica de Andalucía (IAA). The MIPAS data products on this server are commonly known as IMK/IAA MIPAS Level2 data products. The MIPAS instrument measured during two time frames: from 2002 to 2004 in full spectral resolution (high resolution = HR aka full resolution = FR), and from 2005 to 2012 in reduced spectral, but improved spatial resolution (reduced resolution = RR aka optimized resolution = OR). For this reason, there are different version numbers covering the full MIPAS mission period: xx for the HR/FR period, and 2xx for the RR/OR period (example: 61 for HR/FR, 261 for RR/OR). Beyond this, measurements were conducted in different modes covering different altitude ranges during the RR period: Nominal (6 – 70 km), MA (18 – 102 km), NLC (39 – 102 km), UA (42 – 172 km), UTLS-1 (5.5 – 19 km), UTLS-2 (12 – 42 km), AE (7 – 38 km). The non-nominal modes are identified by the following version numbers: MA = 5xx, NLC = 7xx, UA = 6xx, UTLS-1/2 = 1xx (no retrievals for AE mode).
PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.