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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm novel » algorithmsa novel (Expand Search), algorithm model (Expand Search), algorithm models (Expand Search)
python function » protein function (Expand Search)
algorithm b » algorithm _ (Expand Search), algorithms _ (Expand Search)
b function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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Illustration of recording paradigm with PyNoetic’s Stimuli generation and recording module.
Published 2025Subjects: -
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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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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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Score plots of municipalities to visualize separation between clusters in functional PC1-PC2 (A) and PC1-PC3 (B).
Published 2024Subjects: “…unsupervised learning algorithms…”
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BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data
Published 2019“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. 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…”