Using Basis Set Exchange as a backend service

[bingao]

Dear Basis Set Exchange developers,

I am developing a library (named basisbase) using Dart programming language that will be used in a WebApp. The library will be released under Mozilla Public License Version 2.0. Currently, Basis Set Exchange (BSE) is the only backend service for this library.

When users query Gaussian basis sets for some elements, basisbase will first look up its local database and return results to users if the basis sets are found. Otherwise, it will call BSE's REST APIs (https://molssi-bse.github.io/basis_set_exchange/web_api.html) to fetch the required basis sets and save them into the local database for later use.

The library basisbase is in a private repository at https://github.com/bingao/basisbase. If you need access to it, please let me know. I am writing an issue here to inquire about your preference regarding the above use of BSE as a backend service. If it is OK with you, except for acknowledgment of the BSE library, do you think a license should be used for those basis sets obtained from BSE and stored in the users' local database? If yes, is the same license as the BSE library?

Thank you.

Bin Gao

[bennybp]

Glad you are finding the API useful!

I think using the BSE this way should be ok with acknowledgement. The license of the basis sets themselves are a tricky (and likely unsettled) subject. For the most part, I would consider them free to use, but acknowledgement of the authors of the basis sets would certainly be appreciated by them in any publications (ie, that your users publish).

I would certainly be interested in your project, if only for my own curiosity.

[bingao]

Thank you @bennybp I will write the acknowledgment of BSE clearly in my project. I will also mention that users of my library should consult BSE authors if they want to modify/redistribute the basis sets from BSE.

I just made my project https://github.com/bingao/basisbase public so that everyone can access it. As you know, it is an ongoing project and may be released in the next 1-2 months. So the whole library does not work for now.

[susilehtola]

The license of the basis sets themselves are a tricky (and likely unsettled) subject. For the most part, I would consider them free to use, but acknowledgement of the authors of the basis sets would certainly be appreciated by them in any publications (ie, that your users publish).

AFAIK the basis set data is public domain. I believe MolSSI's stance was that basis set data can't be copyrighted since it is data that is public material needed to reproduce scientific results...