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Found 119 result(s)
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Chemotion-repository is a repository for the publication, re-use and archiving of research data in the domain of chemistry. It is suitable for molecules, reactions, and associated data. It stores original data in diverse file-formats including standard file types and as well as descriptions, metadata, and ontologies. The repository is open to all researchers worldwide.
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.
This database contains references to publications that include numerical data, general information, comments, and reviews on atomic line broadening and shifts, and is part of the collection of the NIST Atomic Spectroscopy Data Center https://www.nist.gov/pml/quantum-measurement/atomic-spectroscopy/atomic-spectroscopy-data-center-contacts.
The Square Kilometre Array (SKA) is a radio telescope with around one million square metres of collecting area, designed to study the Universe with unprecedented speed and sensitivity. The SKA is not a single telescope, but a collection of various types of antennas, called an array, to be spread over long distances. The SKA will be used to answer fundamental questions of science and about the laws of nature, such as: how did the Universe, and the stars and galaxies contained in it, form and evolve? Was Einstein’s theory of relativity correct? What is the nature of ‘dark matter’ and ‘dark energy’? What is the origin of cosmic magnetism? Is there life somewhere else in the Universe?
BindingDB is a public, web-accessible knowledgebase 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 and from US Patents by the BindingDB project, selected PubChem confirmatory BioAssays, and ChEMBL entries for which a well defined protein target ("TARGET_TYPE='PROTEIN'") is provided.
The Yeast Resource Center provides access to data about mass spectrometry, yeast two-hybrid arrays, deconvolution florescence microscopy, protein structure prediction and computational biology. These services are provided to further the goal of a complete understanding of the chemical interactions required for the maintenance and faithful reproduction of a living cell. The observation that the fundamental biological processes of yeast are conserved among all eukaryotes ensures that this knowledge will shape and advance our understanding of living systems.
>>>!!!<<< 2019-12-03: The repository is no longer available >>>!!!<<< Please use https://www.cfa.harvard.edu/amp/ampdata/kurucz23/sekur.html The atomic line data used in this database are taken from Bob Kurucz' CD-ROM 23 of spectroscopic line calculations. The database contains all lines of the file "gfall.dat" with the following items for each line: Wavelength; loggf; element code; lower level: energy, J, configuration; upper level: energy, J, configuration; gamma r; gamma s; gamma w; reference code. CD-ROM 23 has all the atomic line data with good wavelengths in one large file and in one file for each species. The big file is also divided into 10 nm and 100 nm sections for convenience. Also given are hyperfine line lists for neutral Sc, V, Mn, and Co that were produced by splitting all the energy levels for which laboratory data are available (only a small fraction).
HITRAN is an acronym for high-resolution transmission molecular absorption database. The HITRAN compilation of the SAO (HIgh resolution TRANmission molecular absorption database) is used for predicting and simulating transmission and emission of light in atmospheres. It is the world-standard database in molecular spectroscopy. The journal article describing it is the most cited reference in the geosciences. There are presently about 5000 HITRAN users world-wide. Its associated database HITEMP (high-temperature spectroscopic absorption parameters) is accessible by the HITRAN website.
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.
Atomic and Ionic UV/VUV Linelist . This facility permits selective searches of some atomic data compliled by R. L. Kelly. The data provided are: - vacuum wavelength [in nm], - intensity estimate, - E [in cm-1], j, and configuration for lower and upper levels, - multiplet (where available), - reference numbers of the sources of the data.
The Materials Project produces one of the world's foremost databases of computed information about inorganic, crystalline materials, along with providing powerful web-based apps to help analyze this information to help the design of novel materials. Access is provided free-of-charge with an API available and under a permissive license.
>>>!!!<<< 2019-12-04: The repository is no longer available >>>!!!<<< Presented here are experimental ionization cross sections measured using the Electron-Ion Crossed Beams apparatus in the Multicharged Ion Research Facility (MIRF) at the Physics Division of Oak Ridge National Laboratory (ORNL). The data are given in both graphical and tabular form along with the reference to the original publication of the experimental results. Also presented in the figures are theoretical cross sections supporting the experiments.
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The CCC method yields accurate excitation and ionisation cross sections for atomic and ionic targets which are well-modelled by one or two valence electrons above a Hartree-Fock core. Inner core ionisation can be a major contributor to the total ionisation cross section. Such contributions can be estimated using various forms of Born-based approximations.
NetSlim is a resource of high-confidence signaling pathway maps derived from NetPath pathway reactions. 40-60% of the molecules and their reactions in NetPath pathways are available in NetSlim.
Pathway Commons is a convenient point of access to biological pathway information collected from public pathway databases. Information is sourced from public pathway databases and is readily searched, visualized, and downloaded. The data is freely available under the license terms of each contributing database.
This database provides theoretical values of energy levels of hydrogen and deuterium for principle quantum numbers n = 1 to 200 and all allowed orbital angular momenta l and total angular momenta j. The values are based on current knowledge of the revelant theoretical contributions including relativistic, quantum electrodynamic, recoil, and nuclear size effects.
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>>>!!!<<< The repository is no longer available. >>>!!!<<< The aim of the present volume is the compilation of experimental data. The Tables of energy levels are presented in a way similar to the "Atomic Energy levels the Rare Earth Elements", and incorporate additionnal data: isotope shifts and hyperfine structures. For each spectrum, they are separated in two lists of odd and even levels, the parity of the ground level being given first.
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SCRIPDB is a chemical structure database designed to make patent metadata accessible. We index public-domain chemical information contained in U.S. patents, and provide the full patent text, reactions, and relationships described within any individual patent, as well as the original CDX, MOL, and TIFF files.
The Joint Evaluated Fission and Fusion File (JEFF) project is a collaboration between NEA Data Bank member countries. The JEFF library combines the efforts of the JEFF and EFF/EAF Working Groups to produce a common sets of evaluated nuclear data, mainly for fission and fusion applications. It contains a number of different data types, including neutron and proton interaction data, radioactive decay data, fission yields, and thermal scattering law data
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Welcome to our Atomic & Molecular Database in the Institute of Applied Physics and Computational Mathematics (IAPCM). The database is intended to collect, assess and compile atomic and molecular data for various elementary processes, and especially data needed in plasma simulation and diagnosis. Part data came from the old version of the SPECTR database(by A.Ya Faenov et al).
The NIH 3D Print Exchange (the “Exchange”) is an open, comprehensive, and interactive website for searching, browsing, downloading, and sharing biomedical 3D print files, modeling tutorials, and educational material. "Biomedical" includes models of cells, bacteria, or viruses, molecules like proteins or DNA, and anatomical models of organs, tissue, and body parts. The NIH 3D Print Exchange provides models in formats that are readily compatible with 3D printers, and offers a unique set of tools to create and share 3D-printable models related to biomedical science.
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The database contains numerical data on atomic and molecular collisions, radiative processes and various other material properties of specific use in fusion and plasma research. Searching the database produces bibliographic results linking to the research paper containing the data of interest. Searches can be performed based on a variety of parameters including reactants, surface of interest, data type; or by date, journal or author.