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An Entity of Type : prov:Entity, within Data Space : webisa.webdatacommons.org associated with source dataset(s)

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  • I have recently become aware of hBar Lab, whose web application is built entirely on open source software (MPQC, OpenBabel, Jmol) and who perform on-demand calculation of molecular properties:The user login, select the property, e.g. ionization energy or geometry, and the molecule of interest, and then submit the query.
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