From owner-chemistry@ccl.net Tue Apr 11 19:55:00 2023 From: "Mark Nicholas Jones mark^-^mqs.dk" To: CCL Subject: CCL: Application Programming Interface (API) for quantum chemistry data Message-Id: <-54886-230411162529-7407-vW9mfxsm5AeKueLiYf+4vQ[A]server.ccl.net> X-Original-From: Mark Nicholas Jones Content-Language: en-US Content-Type: multipart/alternative; boundary="------------JtrWpCE9abj9lQZ0oNQ7bl4n" Date: Tue, 11 Apr 2023 22:25:15 +0200 MIME-Version: 1.0 Sent to CCL by: Mark Nicholas Jones [mark|,|mqs.dk] This is a multi-part message in MIME format. --------------JtrWpCE9abj9lQZ0oNQ7bl4n Content-Type: text/plain; charset=UTF-8; format=flowed Content-Transfer-Encoding: 7bit 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) --------------JtrWpCE9abj9lQZ0oNQ7bl4n Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: 7bit 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)

--------------JtrWpCE9abj9lQZ0oNQ7bl4n--