Add project: Materials repositories popular in AML research

[Irratzo]

Project details:

See below.

Additional context:

This is a tricky subject. Materials repositories. Should they be part of this list, or rather be in a separate "materials informatics" list or similar?

Yes: Other "static" datasets like QM9 are also listed here. Why? Because they are part of atomistic ML (AML) publications as much as the models on which they were trained. Same goes for publications that used materials repos like Materials Project, then.

No. This is a bigger undertaking. There are a lot of materials repositories. Which one should be added? Add only the homepagess as resources, or homepages and APIs as separate entries, or homepages and APIs and associated tools as separate entries?

A balance should be struck here. Adding all kinds of materials informatics and computational materials science tools in this AML list would dilute it. For example, pymatgen and spglib should not be listed here, but in such a dedicated list. So, strike a balance: Only add the minimal set of tools to access materials repo data via browser or via API. Two entries at most per repo as guideline.

List of projects to research

Note. Add only those that actually have a record of being used in published AML research.

• Materials Project
• AFLOWlib

List of projects to add to the list

• Project Name: Materials Project API
• Github URL: https://github.com/materialsproject/api
• Category: datasets. Or create new category, see below.
• License: https://github.com/materialsproject/api/blob/main/LICENSE
• Package Managers: pypi:mp-api

[Irratzo]

Another list of materials databases.

https://mattermodeling.stackexchange.com/a/83/66