A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
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Updated
Dec 22, 2024 - Python
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reticular-chemistry
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An ecosystem for digital reticular chemistry
data-science benchmark machine-learning metrics ml splitting artificial-intelligence hacktoberfest descriptors mof featurization metal-organic-frameworks porous-materials reticular-chemistry
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Sep 10, 2024 - Python
Python package for parallel calculation of energy voxels.
deep-learning feature-engineering voxels material-science metal-organic-frameworks porous-materials reticular-chemistry
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May 28, 2024 - Python
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