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conda-forge.org : m3gnet
M3GNet is a new materials graph neural network architecture that incorporates 3-body interactions. A key difference with prior materials graph implementations 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.
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purl: pkg:conda/m3gnet
Keywords: deep-learning, graph, machine-learning, materials-science, neural-network
License: BSD-3-Clause
Latest release: over 1 year ago
First release: almost 2 years ago
Stars: 131 on GitHub
Forks: 36 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 20 days ago