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Theoretical Chemistry

Accepted data

Input or output files from quantum or classical molecular modeling software suites.

Supporting institutions

Barcelona Supercomputing Center

Persistent identifiers

DOI

Volume limit

No limit specified, but it is recommended to create your own instance (which can then be ''pushed'' to the central instance) to manage large files and/or manage files from a thematic or geographic community

Repository provided moderation

Automatic: the submission must consist of input or output files from standard software suites widely used by the community. These are automatically ingested and processed by the repository.

Viability

In existence since 2015.

Notes

Differentiated application of licenses for the file (CC-BY-ND) and for the citation (CC-BY). Embargo: note that when data is under embargo, basic metadata remains visible within a collection

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