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I love pymatgen. I started using it and contributing to it in 2018, back when I was just 21. So grateful to be included in this retrospective, alongside the massive (and still growing) pymatgen community. #opensource #matsci ⚗️

Janine George@molecularxtal.bsky.social

New pymatgen preprint. I am one of 166 authors and 7 first authors. We spent 1.5 years and longer on this paper! Just finding the co-authors was a massive amount of work. #compchemsky arxiv.org/abs/2610.235...

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As dope as I think this paper and pymatgen are, and as glad as I am to be recognized for my contributions, I must challenge the paper's frankly uncritical discussion of "LLM-based agents" and "AI-driven workflows", as well as its use of LLMs for analysis.

These choices, none necessary, none innocent, serve to legitimize a tool that is causing growing social, political, environmental, educational, and epistemological harm, that threatens the very foundations of science and research. #criticalAI

I have been consistently opposed to this uncritical stance during the paper's drafting and (unfortunately) consistently ignored. While I (perhaps wrongly and hypocritically) chose to keep my name on this paper in order for my contributions not to be erased, I continue to stand in opposition.