JuDFTteam / best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
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Major List Update 2024-08 #256

Closed Irratzo closed 3 months ago

Irratzo commented 8 months ago

Major list update 2024-08. Postponed from 2024-01, 2024-03, 2024-06.

Previous major updates in issues #181, #94.

For the procedure, reusing the Major List Update How-To from issue #94 comments.

Subtasks.

Irratzo commented 3 months ago

Closed batch-processable 'yes' issues in commit c21de8e.

Subsequent Actions run of workflow update-best-of-list failed with error

Traceback (most recent call last):
  File "/usr/local/lib/python3.8/site-packages/best_of/generator.py", line 107, in generate_markdown
    projects = projects_collection.collect_projects_info(
  File "/usr/local/lib/python3.8/site-packages/best_of/projects_collection.py", line 622, in collect_projects_info
    if project_info.name.lower() in unique_projects:
TypeError: 'Dict' object is not callable

As this error seemed unrelated to this List Update, I split it off into issue #345.

Irratzo commented 3 months ago

Side note. Here on reddit is some activity by the orignal best-of authors. Some good insights into, and criticisms, of the best-of project ranking design. Sadly, they are not active there anymore, either.

Irratzo commented 3 months ago

Side note. While examining the failed runs, I noticed that I was not using libraries.io information for the project ranking. Outsourced to issue #344.

Irratzo commented 3 months ago

subtask "add citation instructions to header" , done in commit baf90d2.

Irratzo commented 3 months ago

Social media announcements

Note. The '@' handles below are the respective social media site's profile handles, not GitHub profile handles.

Message template

Message template.

Best of atomistic machine learning list, major update. 60 new projects added. Seven universal potentials enter the list, along with an equal share of new generative, active learning, and electronic structure models, datasets and community resources. go.fzj.de/baml

Tagging some new project contributors & others.

Facebook

Searched MD and DFT and computational chemistry and materials groups, sorted by membership count and suitability, cut-off at ~5k members.

Irratzo commented 3 months ago

Done.