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algorithm without » algorithms within (Expand Search)
algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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The optimal solution set of NYN by using different algorithms.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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The optimal solution set of HN by using different algorithms.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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Reflection matrix microscopy data and CLASS algorithms
Published 2025“…<h3><b>Reflection matrix microscopy data and CLASS algorithms</b></h3><p dir="ltr">This software package includes essential algorithms for reflection matrix microscope (RMM) and the CLASS algorithm. …”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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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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Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures.
Published 2023“…However, our algorithm was 1000 times faster than pyROSETTA (both algorithms have been parallelized on a per-structure basis using the Python package joblib [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010531#pcbi.1010531.ref069" target="_blank">69</a>]).…”
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