Combining Deep Learning Neural Networks with Genetic Algorithms to Map Nanocluster Configuration Spaces with Quantum Accuracy at Low Computational Cost by Johnathan von der Heyde (16828390)

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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

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CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

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The convergence curves of the test functions. by Ruiyu Zhan (21602031)

“…We performed comparative analyses against other methodologies across various functions and public datasets to assess their effectiveness. …”

Single-peaked reference functions. by Ruiyu Zhan (21602031)

“…We performed comparative analyses against other methodologies across various functions and public datasets to assess their effectiveness. …”

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

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Function graph and algorithm iterative graph. by WanRu Zhao (18980374)

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Test results of multimodal benchmark functions. by Ruiyu Zhan (21602031)

“…We performed comparative analyses against other methodologies across various functions and public datasets to assess their effectiveness. …”

Fixed-dimensional multimodal reference functions. by Ruiyu Zhan (21602031)

“…We performed comparative analyses against other methodologies across various functions and public datasets to assess their effectiveness. …”

Test results of multimodal benchmark functions. by Ruiyu Zhan (21602031)

“…We performed comparative analyses against other methodologies across various functions and public datasets to assess their effectiveness. …”

Reward function related parameters. by Honglei Pang (22693724)

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Example of the algorithm function as an excel template. by Thomas Nickolay (18121412)

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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

Our algorithms process large data sets within a minute. by Manu Aggarwal (15990691)

Super.Complex identifies likely protein complexes within a PPI network using a distributed supervised AutoML method. by Meghana Venkata Palukuri (11890672)

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Results of proposed algorithms and algorithms in [9] for 18 instances. by Jin Zhang (53297)