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This project forked from materialsvirtuallab/m3gnet

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Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

License: BSD 3-Clause "New" or "Revised" License

Shell 0.35% Python 99.28% HTML 0.38%

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alikhamze avatar chc273 avatar dependabot[bot] avatar dgaines2 avatar gpetretto avatar janosh avatar ltalirz avatar pre-commit-ci[bot] avatar sgbaird avatar shyuep avatar vvvlzy avatar ykq98 avatar

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