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materials-toolkits/core-mof

CoRE MOF 2019 The public structures of the Computation-Ready Experimental MOF database (Chung et al., 2019), version 1.1.4: metal-organic frameworks determined by experiment, cleaned to be used in simulations. Their solvent is removed in two ways, which make the two splits: Split Structures Atoms Atoms per structure asr, all solvent removed 12,020 3,926,702 10 to 10,560, median 192 fsr, free solvent removed 7,061 2,388,025 10 to 10,560, median 204 In fsr the… See the full description on the dataset page: https://huggingface.co/datasets/materials-toolkits/core-mof.

Author / organizationmaterials-toolkits
License (as declared)cc-by-4.0
Downloads158 (as reported by Hugging Face)
Likes0
Created9 October 2026
Last updated at source9 October 2026
chemistrymaterials-sciencemetal-organic-frameworks
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