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CrystalFlow: A Flow-Based Generative Model for Crystalline Materials In this work, we present CrystalFlow, a flow-based generative model specifically developed for the generation of crystalline materials CrystalFlow constructs Continuous Normalizing Flows to model lattice parameters, atomic coordinates, and or atom types, which are trained using Conditional Flow Matching techniques
crystalflow · PyPI Project description description = 'crystalflow, XRD Enhanced Crystal Graph Dataloader' author = 'Bin Cao, Advanced Materials Thrust, Hong Kong University of Science and Technology (Guangzhou)' author_email = ' binjacobcao@gmail com ' url = ' https: github com Bin-Cao CrystalFlow '
CrystalFlow: A Flow-Based Generative Model for Crystalline Materials In this work, we present CrystalFlow, a flow-based generative model specifically developed for the generation of crystalline materials CrystalFlow constructs Continuous Normalizing Flows to model lattice parameters, atomic coordi-nates, and or atom types, which are trained using Conditional Flow Matching techniques