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Good read. Well written, very detailed and thorough. Great contribution.
2025-01-03
M3GNet seems like a pretty popular MLIP model. Depending on the pipeline we build out, we may want to increase throughput with a model that can help us with MD and electronics predictions.
MatterGen is a diffusion model built for materials discovery published by Microsoft, trained on materials datasets Alexandria, ICSD (licensed data so it isn't publicly released), and Materials Project