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https://github.com/mir-group/nequip
So far this is the most recent paper I've found on ML prediction of , improving on both modeling (CatBoost) and dataset compared to Stanev et al.
2025-01-03
For simplicity I feel like we can frame this as purely focusing on the materials discovery, knowing that the broader goal could still be the Bell Labs 2.0 Logo draft, tried to go Skunkworks style cart