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[ICML2026] MCFlow, a New Integrated Model for AI-Generated Inorganic Materials
LG AI Research developed MCFlow (Multimodal Crystal Flow), a single integrated generative model for inorganic materials that can perform crystal structure prediction from composition, de novo generation of both composition and structure, and generation of atomic species for a given structure.
The research was accepted to ICML 2026.
From the source
LG AI Research developed Multimodal Crystal Flow (MCFlow), a model capable of performing not only conventional composition-based structure generation and new composition-structure generation, but also the generation of atomic species suitable for a given crystal structure, all within a single model.
lgresearch.ai
