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Found 181 result(s)
Here you will find a collection of atomic microstructures that have been built by the atomic modeling community. Feel free to download any of these and use them in your own scientific explorations.The focus of this cyberinfrastructure is to advance the field of atomic-scale modeling of materials by acting as a forum for disseminating new atomistic scale methodologies, educating non-experts and the next generation of computational materials scientists, and serving as a bridge between the atomistic and complementary (electronic structure, mesoscale) modeling communities.
BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be candidate drug-targets with ligands that are small, drug-like molecules. BindingDB supports medicinal chemistry and drug discovery via literature awareness and development of structure-activity relations (SAR and QSAR); validation of computational chemistry and molecular modeling approaches such as docking, scoring and free energy methods; chemical biology and chemical genomics; and basic studies of the physical chemistry of molecular recognition. BindingDB also includes a small collection of host-guest binding data of interest to chemists studying supramolecular systems. The data collection derives from a variety of measurement techniques, including enzyme inhibition and kinetics, isothermal titration calorimetry, NMR, and radioligand and competition assays. BindingDB includes data extracted from the literature by the BindingDB project, selected PubChem confirmatory BioAssays, and ChEMBL entries for which a well defined protein target ("TARGET_TYPE='PROTEIN'") is provided. Data extracted by BindingDB typically includes more details regarding experimental conditions, etc
eCrystals - Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service.
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The Institutional repository collects, disseminates and preserves in digital form, the intellectual output that results from the academic and research activity of the Universitat Pompeu Fabra (UPF). Its Purpose is to Increase the impact of research done at the UPF and STIs intellectual memory.
The RRUFF Project is creating a complete set of high quality spectral data from well characterized minerals and is developing the technology to share this information with the world. The collected data provides a standard for mineralogists, geoscientists, gemologists and the general public for the identification of minerals both on earth and for planetary exploration.Electron microprobe analysis is used to determine the chemistry of each mineral.
The Nanomaterial Registry is a publicly available repository for curated research data on nanomaterials, including their physico-chemical characteristics and their interactions with biological and environmental systems.
Physical Reference Data compiles physical data and biblographic sources: Physical constants, atomic spectroscopy data, molecular spectroscopic data, X-Ray and Gamma-Ray data, nuclear physics data etc.
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 Research Collection is ETH Zurich's publication platform. It unites the functions of a university bibliography, an open access repository and a research data repository within one platform. Researchers who are affiliated with ETH Zurich, the Swiss Federal Institute of Technology, may deposit research data from all domains. They can publish data as a standalone publication, publish it as supplementary material for an article, dissertation or another text, share it with colleagues or a research group, or deposit it for archiving purposes. Research-data-specific features include flexible access rights settings, DOI registration and a DOI preview workflow, content previews for zip- and tar-containers, as well as download statistics and altmetrics for published data. All data uploaded to the Research Collection are also transferred to the ETH Data Archive, ETH Zurich’s long-term archive.
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The UWA Research Repository contains research publications, research datasets and theses created by researchers and postgraduates affiliated with UWA. It is managed by the University Library and provides access to research datasets held at the University of Western Australia. The information about each dataset has been provided by UWA research groups. Dataset metadata is harvested into Research Data Australia (RDA: https://researchdata.ands.org.au/). Language: The user interface language of the research data repository.
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coastMap offers campaign data, model analysis and thematic maps predominantly in the Biogeosciences. Spotlights explain in a nutshell important topics of the research conducted for the interested public. The portal offers applications to visualise and download field and laboratory work and to connect the information with interactive maps. Filter functions allow the user to search for general topics like a marine field of interest or single criteria, for example a specific ship campaign or one of 1000 measured parameters. The Model Analysis Tool uses a "Big Data" approach and allows expert of different disciplines to access detailed and high-resolution oceanographic model data. An interface is provided to statistically examine and download subsets of model-derived data.
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.
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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.
4TU.ResearchData, previously known as 3TU.Datacentrum, is an archive for research data. It offers the knowledge, experience and the tools to share and safely store scientific research data in a standardized, secure and well-documented manner. 4TU.Centre for Research Data provides the research community with: Advice and support on data management; A long-term archive for scientific research data; Support for current research projects; Tools for reusing research data.
---<<< 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.
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.
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The National Pollutant Release Inventory (NPRI) is Canada's legislated, publicly accessible inventory of pollutant releases (to air, water and land), disposals and transfers for recycling. It is a key resource for: identifying pollution prevention priorities; supporting the assessment and risk management of chemicals, and air quality modelling; helping develop targeted regulations for reducing releases of toxic substances and air pollutants; encouraging actions to reduce the release of pollutants into the environment; and improving public understanding. The NPRI comprises: Information reported by facilities and published by Environment and Climate Change Canada under the authority of Sections 46 – 50 of the Canadian Environmental Protection Act, 1999 (CEPA 1999); and Comprehensive emission summaries and trends for key air pollutants, based on facility-reported data and emission estimates for other sources such as motor vehicles, residential heating, forest fires and agriculture. For the latest reporting year, 7,708 facilities reported to the NPRI on more than 300 listed substances. Comprehensive air pollutant emission summaries and trends were compiled by Environment and Climate Change Canada for criteria air contaminants (the main pollutants contributing to smog, acid rain and/or poor air quality), selected heavy metals and persistent organic pollutants.
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.