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1. my-first-file my-first-file Public

2. TRUI TRUI Public

3. TRUI1 TRUI1 Public

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4. trui_git_deanzaka trui_git_deanzaka Public

   Forked from rickynauvaldy/trui_git_deanzaka

5. Cage-Isomers Cage-Isomers Public

   Molecular framework structure could be described as a collection of discrete cage/pore shapes. Functionalisation to the structure creates a huge number of possible isomers. This code enumerates and…

   Python

6. FG-Pair-Distance-Descriptor FG-Pair-Distance-Descriptor Public

   Machine Learning Descriptor for Porous Molecular Frameworks Isomerization. Porous materials are often functionalised to enhance their properties. We developed a machine learning descriptor based on…

   Python