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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm its » algorithm i (Expand Search), algorithm etc (Expand Search), algorithm iqa (Expand Search)
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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
Published 2020“…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). …”
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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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<b>Optimization of the whole life capacity configuration of the hydrogen production system based on improved whale optimization algorithm</b>
Published 2025“…The improvements notably boost the algorithm's convergence speed and optimization accuracy, as validated by five benchmark function types. …”
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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements
Published 2021“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”
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BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data
Published 2019“…To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”
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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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Asymmetric Probability Distribution Function-Based Distillation Curve Reconstruction and Feature Extraction for Industrial Oil-Refining Processes
Published 2020“…Along with the distillation curve reconstruction, features of the synthetic distillation data are extracted by optimizing the parameters of the Kumaraswamy distribution function using the state transition algorithm. Industrial experiments were carried out to demonstrate the effectiveness of our proposal.…”
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