lamalab-org/mofdscribe
An ecosystem for digital reticular chemistry
This tool helps computational chemists and materials scientists analyze Metal-Organic Frameworks (MOFs). It takes structural data of MOFs and calculates various chemical and structural descriptors, making it easier to compare and understand different MOF materials. Researchers can use these descriptors to predict material properties or design new MOFs.
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Use this if you need to extract meaningful numerical features from MOF structures for further analysis or machine learning applications.
Not ideal if you are working with material types other than MOFs, or if you need an easy-to-install solution on Windows or ARM-based Macs.
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52
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Language
Python
License
MIT
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Last pushed
Sep 10, 2024
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