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Found 3 result(s)

Materials Cloud Archive

Materials Cloud

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FAIR & long-term storage of research data from computational materials science, or from experimental materials science that is of relevance to simulations. Complementary tools available to explore the full provenance of the calculations and to perform simulations or data analytics in the cloud.

INFRA-ART Spectral Library

INFRA-ART Spectral Database

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The INFRA-ART Spectral Library is an open-access integrated spectral library of artist paint materials that was designed as a digital support tool for research specialists and other heritage-related professionals that work with non- or minimally invasive spectroscopic techniques.

PSnpBind

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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.