Metadata record for: QM-sym, a symmetrized quantum chemistry database of 135 kilo molecules

Version 2 2020-03-26, 16:31

Version 1 2019-10-11, 09:44

dataset

posted on 2020-03-26, 16:31 authored by jiechun liang, yanheng xu, rulin liu, xi zhu

This dataset contains key characteristics about the data described in the Data Descriptor QM-sym, a symmetrized quantum chemistry database of 135 kilo molecules.

Contents:

1. human readable metadata summary table in CSV format

2. machine readable metadata file in JSON format

Versioning Note:

Version 2 was generated when the metadata format was updated from JSON to JSON-LD. This was an automatic process that changed only the format, not the contents, of the metadata.