CCL: Application Programming Interface (API) for quantum chemistry data
- From: Mark Nicholas Jones <mark#%#mqs.dk>
- Subject: CCL: Application Programming Interface (API) for quantum
chemistry data
- Date: Tue, 11 Apr 2023 22:25:15 +0200
Dear Computational Chemistry Community,
We have released a dashboard and an API for screening through quantum
chemical data sets: https://mqs.dk
We hope this is of value for some members of the mailing list here and
we wrote an introduction tutorial:
https://blog.mqs.dk/posts/getting_started_search_api_part1/
Feel free to let me know what you think and what kind of additional
examples, data, tools you find helpful which could be integrated with
the API for high-throughput screening.
Kind regards,
mark
--
Mark Nicholas Jones (https://scholar.google.com/citations?user=eKbtl2oAAAAJ)
Molecular Quantum Solutions (https://mqs.dk)