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New MQS Dashboard release with QMugs and Pubchem ... (No replies)
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The new version of the MQS Dashboard is online!
https://blog.mqs.dk/posts/new_dashboard_release/
- Search simultaneously through the QMugs and PubchemQC PM6 data sets.
- QMugs holds 685.917 molecular structures (https://www.nature.com/articles/s41597-022-01390-7).
- PubchemQC PM6 holds 221.190.415 molecular structures (https://pubs.acs.org/doi/10.1021/acs.jcim.0c00740).
- All structures are geometry optimized and suitable for your quantum chemistry calculation pipelines.
- Experience a great workflow by refining your search queries with the dashboard search field. As with many other search engines one can make use of operators (AND, OR, NOT), wildcards (*, #, ?, %) and quotation marks ("") to refine your search query.
- Utilize the Search API to screen efficiently through the database for specific chemical classes with your refined search queries (Tutorial: https://blog.mqs.dk/posts/getting_started_search_api_part1/).