M3GNet

" M3GNet is a new materials graph neural network architecture that incorporates 3-body interactions. A key difference with prior materials graph implementations such as MEGNet is the addition of the coordinates for atoms and the 3×3 lattice matrix in crystals, which are necessary for obtaining tensorial quantities such as forces and stresses via auto-differentiation.

homepage: https://materialsvirtuallab.github.io/m3gnet/

version	toolchain
0.2.4	foss/2022a

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