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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages
Published 2024“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”
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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages
Published 2024“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”
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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages
Published 2024“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”
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Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection
Published 2025“…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. For accessing other networks used in the study, please refer to the article for references to the primary sources of those network data.…”
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