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Found 8 result(s)
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MDR is a data repository to collect and store papers, presentation materials, and related materials data to accumulate and release them in a form suitable for the promotion of materials research and materials informatics. Users can search the documents and the data from information (metadata) such as sample, instrument, method, and from the full text of the deposited data, to browse and download them freely. User registration is not required and there is no charge for use.
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.
Portal to Los Alamos Opacity Codes is your gateway to the set of opacity codes developed at the Los Alamos National Laboratory. The TOPS code has been developed to calculate multigroup opacities that can be written in a variety of formats for use in radiation transport codes. Arbitrary mixture of any elements for which OPLIB data exist is supported. Opacities of special mixtures that are important in astrophysical applications are also available as a separate option (Astrophysical opacities).
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sciencedata.dk is a research data store provided by DTU, the Danish Technical University, specifically aimed at researchers and scientists at Danish academic institutions. The service is intended for working with and sharing active research data as well as for safekeeping of large datasets. The data can be accessed and manipulated via a web interface, synchronization clients, file transfer clients or the command line. The service is built on and with open-source software from the ground up: FreeBSD, ZFS, Apache, PHP, ownCloud/Nextcloud. DTU is actively engaged in community efforts on developing research-specific functionality for data stores. Our servers are attached directly to the 10-Gigabit backbone of "Forskningsnettet" (the National Research and Education Network of Denmark) - implying that up and download speed from Danish academic institutions is in principle comparable to those of an external USB hard drive. Data store for research data allowing private sharing and sharing via links / persistent URLs.
This database provides structural information on all of the Zeolite Framework Types that have been approved by the Structure Commission of the International Zeolite Association (IZA-SC).
PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.
Most or all of the features are no longer available via the CDS/DL website since provision of the EPSRC UK national Chemical Database Service has been taken over by the Royal Society of Chemistry from 1st January 2013. Daresbury now offers reduced database access, but CrystalWorks developments continue here. Some related features may be available via the RSC/CSD portal. For details of what is currently available on the CDS/DL website and also links to the RSC/CDS portal follow the link to the CDS/DL Homepage. // The service gives on-line access to a rich variety of quality databases in fields relating to chemistry. The CDS team also provides general support, training and advice.