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Found 32 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 http://bitbucket.org/chempound and is available under the Apache License, Version 2.0
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
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 (hepdata.net), 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.
M-CSA is a database of enzyme reaction mechanisms. It provides annotation on the protein, catalytic residues, cofactors, and the reaction mechanisms of hundreds of enzymes. There are two kinds of entries in M-CSA. 'Detailed mechanism' entries are more complete and show the individual chemical steps of the mechanism as schemes with electron flow arrows. 'Catalytic Site' entries annotate the catalytic residues necessary for the reaction, but do not show the mechanism. The M-CSA (Mechanism and Catalytic Site Atlas) represents a unified resource that combines the data in both MACiE and the CSA
Protectedplanet.net combines crowd sourcing and authoritative sources to enrich and provide data for protected areas around the world. Data are provided in partnership with the World Database on Protected Areas (WDPA). The data include the location, designation type, status year, and size of the protected areas, as well as species information.
The UK Polar Data Centre (UK PDC) is the focal point for Arctic and Antarctic environmental data management in the UK. Part of the Natural Environmental Research Council’s (NERC) network of environmental data centres and based at the British Antarctic Survey, it coordinates the management of polar data from UK-funded research and supports researchers in complying with national and international data legislation and policy.
Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing the results of over one million x-ray and neutron diffraction analyses this unique database of accurate 3D structures has become an essential resource to scientists around the world. The CSD records bibliographic, chemical and crystallographic information for:organic molecules, metal-organic compounds whose 3D structures have been determined using X-ray diffraction, neutron diffraction. The CSD records results of: single crystal studies, powder diffraction studies which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD. The CSD includes crystal structure data arising from: publications in the open literature and Private Communications to the CSD (via direct data deposition). The CSD contains directly deposited data that are not available anywhere else, known as CSD Communications.
-----<<<<< The repository is no longer available. This record is out-dated. The Matter lab provides the archived database version of 2012 and 2013 at https://www.matter.toronto.edu/basic-content-page/data-download. Data linked from the World Community Grid - The Clean Energy Project see at https://www.worldcommunitygrid.org/research/cep1/overview.do and on fighshare https://figshare.com/articles/dataset/moldata_csv/9640427 >>>>>----- The Clean Energy Project Database (CEPDB) is a massive reference database for organic semiconductors with a particular emphasis on photovoltaic applications. It was created to store and provide access to data from computational as well as experimental studies, on both known and virtual compounds. It is a free and open resource designed to support researchers in the field of organic electronics in their scientific pursuits. The CEPDB was established as part of the Harvard Clean Energy Project (CEP), a virtual high-throughput screening initiative to identify promising new candidates for the next generation of carbon-based solar cell materials.
GeoCommons is the public community of GeoIQ users who are building an open repository of data and maps for the world. The GeoIQ platform includes a large number of features that empower you to easily access, visualize and analyze your data. The GeoIQ platform powers the growing GeoCommons community of over 25,000 members actively creating and sharing hundreds of thousands of datasets and maps across the world. With GeoCommons, anyone can contribute and share open data, easily build shareable maps and collaborate with others.
mzCloud is an extensively curated database of high-resolution tandem mass spectra that are arranged into spectral trees. MS/MS and multi-stage MSn spectra were acquired at various collision energies, precursor m/z, and isolation widths using Collision-induced dissociation (CID) and Higher-energy collisional dissociation (HCD). Each raw mass spectrum was filtered and recalibrated giving rise to additional filtered and recalibrated spectral trees that are fully searchable. Besides the experimental and processed data, each database record contains the compound name with synonyms, the chemical structure, computationally and manually annotated fragments (peaks), identified adducts and multiply charged ions, molecular formulas, predicted precursor structures, detailed experimental information, peak accuracies, mass resolution, InChi, InChiKey, and other identifiers. mzCloud is a fully searchable library that allows spectra searches, tree searches, structure and substructure searches, monoisotopic mass searches, peak (m/z) searches, precursor searches, and name searches. mzCloud is free and available for public use online.
<<<!!!<<< Crystaleye has now been excitingly integrated into the Crystallography Open Database at http://www.crystallography.net. http://service.re3data.org/repository/r3d100010213 >>>!!!>>>
GWAS Central (previously the Human Genome Variation database of Genotype-to-Phenotype information) is a database of summary level findings from genetic association studies, both large and small. We actively gather datasets from public domain projects, and encourage direct data submission from the community.
OpenStreetMap (https://www.openstreetmap.org/export#map=6/51.324/10.426) is built by a community of mappers that contribute and maintain data about roads, trails, cafés, railway stations, and much more, all over the world. Planet.osm is the OpenStreetMap data in one file.
The UK Hydrographic Office (UKHO) is a world-leading centre for hydrography, specialising in marine geospatial data to support safe, secure and thriving oceans. UK Hydrographic Office Bathymetry Data Archive Centre (UKHO DAC) is the UK national repository for bathymetry data. It is provided by the UK Hydrographic Office (UKHO) as part of the wider Marine Environmental Data and Information Network (MEDIN) https://medin.org.uk/. The UKHO DAC holds bathymetry data assets from a wide range of sources – Government funded, commercial, environmental and defence. The ADMIRALTY Marine Data Portal https://www.gov.uk/guidance/inspire-portal-and-medin-bathymetry-data-archive-centre provides access to marine data sets held by the UK Hydrographic Office within the UK Exclusive Economic Zone (EEZ).
PDBe is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. In collaboration with the other worldwide Protein Data Bank (wwPDB) partners - the Research Collaboratory for Structural Bioinformatics (RCSB) and BioMagResBank (BMRB) in the USA and the Protein Data Bank of Japan (PDBj) - we work to collate, maintain and provide access to the global repository of macromolecular structure data. We develop tools, services and resources to make structure-related data more accessible to the biomedical community.
ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry. ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.
Under the World Climate Research Programme (WCRP) the Working Group on Coupled Modelling (WGCM) established the Coupled Model Intercomparison Project (CMIP) as a standard experimental protocol for studying the output of coupled atmosphere-ocean general circulation models (AOGCMs). CMIP provides a community-based infrastructure in support of climate model diagnosis, validation, intercomparison, documentation and data access. This framework enables a diverse community of scientists to analyze GCMs in a systematic fashion, a process which serves to facilitate model improvement. Virtually the entire international climate modeling community has participated in this project since its inception in 1995. The Program for Climate Model Diagnosis and Intercomparison (PCMDI) archives much of the CMIP data and provides other support for CMIP. We are now beginning the process towards the IPCC Fifth Assessment Report and with it the CMIP5 intercomparison activity. The CMIP5 (CMIP Phase 5) experiment design has been finalized with the following suites of experiments: I Decadal Hindcasts and Predictions simulations, II "long-term" simulations, III "atmosphere-only" (prescribed SST) simulations for especially computationally-demanding models. The new ESGF peer-to-peer (P2P) enterprise system (http://pcmdi9.llnl.gov) is now the official site for CMIP5 model output. The old gateway (http://pcmdi3.llnl.gov) is deprecated and now shut down permanently.
<<<!!!<<< This repository is no longer available. SPECTRa (Submission, Preservation and Exposure of Chemistry Teaching and Research Data) was a collaboration between Cambridge University and Imperial College to research issues in the deposition of chemistry data in Open Access digital repositories. Funded by the JISC (Joint Information Systems Committee) under its Digital Repositories programme, it ran from October 2005 to March 2007. Requirements for and attitudes towards data archiving and open access publication were discovered by interview and survey. This led to the development of a set of Open Source software tools for packaging and submitting X-ray crystallography, NMR spectra and computational chemistry data to DSpace digital repositories. This collection will hold reports, presentations and papers published from the project: https://www.repository.cam.ac.uk/handle/1810/183858 >>>!!!>>>
On June 1, 1990 the German X-ray observatory ROSAT started its mission to open a new era in X-ray astronomy. Doubtless, this is the most ambitious project realized up to now in the short history of this young astronomical discipline. Equipped with the largest imaging X-ray telescope ever inserted into an earth orbit ROSAT has provided a tremendous amount of new scientific data and insights.
The Met Office is the UK's National Weather Service. We have a long history of weather forecasting and have been working in the area of climate change for more than two decades. As a world leader in providing weather and climate services, we employ more than 1,800 at 60 locations throughout the world. We are recognised as one of the world's most accurate forecasters, using more than 10 million weather observations a day, an advanced atmospheric model and a high performance supercomputer to create 3,000 tailored forecasts and briefings a day. These are delivered to a huge range of customers from the Government, to businesses, the general public, armed forces, and other organisations.
<<<!!!<<< The repository is no longer available. You can find the data using https://www.re3data.org/repository/r3d100010199 and searching for WATCH. Further information see: https://catalogue.ceh.ac.uk/documents/ba6e8ddd-22a9-457d-acf4-d63cd34f2dda >>>!!!>>>
When published in 2005, the Millennium Run was the largest ever simulation of the formation of structure within the ΛCDM cosmology. It uses 10(10) particles to follow the dark matter distribution in a cubic region 500h(−1)Mpc on a side, and has a spatial resolution of 5h−1kpc. Application of simplified modelling techniques to the stored output of this calculation allows the formation and evolution of the ~10(7) galaxies more luminous than the Small Magellanic Cloud to be simulated for a variety of assumptions about the detailed physics involved. As part of the activities of the German Astrophysical Virtual Observatory we have created relational databases to store the detailed assembly histories both of all the haloes and subhaloes resolved by the simulation, and of all the galaxies that form within these structures for two independent models of the galaxy formation physics. We have implemented a Structured Query Language (SQL) server on these databases. This allows easy access to many properties of the galaxies and halos, as well as to the spatial and temporal relations between them. Information is output in table format compatible with standard Virtual Observatory tools. With this announcement (from 1/8/2006) we are making these structures fully accessible to all users. Interested scientists can learn SQL and test queries on a small, openly accessible version of the Millennium Run (with volume 1/512 that of the full simulation). They can then request accounts to run similar queries on the databases for the full simulations. In 2008 and 2012 the simulations were repeated.
The ADAS Project is a self-funding (i.e. funded by participants) project consisting of most major fusion laboratories along with other astrophysical and university groups. As an implementation, it is an interconnected set of computer codes and data collections for modelling the radiating properties of ions and atoms in plasmas. It can address plasmas ranging from the interstellar medium through the solar atmosphere and laboratory thermonuclear fusion devices to technological plasmas. ADAS assists in the analysis and interpretation of spectral emission and supports detailed plasma models.