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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
model reaction » model reduction (Expand Search), model prediction (Expand Search), model selection (Expand Search)
algorithm pca » algorithm a (Expand Search), algorithm cl (Expand Search), algorithm co (Expand Search)
pca function » gpcr function (Expand Search), a function (Expand Search), fc function (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
model reaction » model reduction (Expand Search), model prediction (Expand Search), model selection (Expand Search)
algorithm pca » algorithm a (Expand Search), algorithm cl (Expand Search), algorithm co (Expand Search)
pca function » gpcr function (Expand Search), a function (Expand Search), fc function (Expand Search)
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Explained variance ration of the PCA algorithm.
Published 2025“…<div><p>Chest X-ray image classification plays an important role in medical diagnostics. Machine learning algorithms enhanced the performance of these classification algorithms by introducing advance techniques. …”
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”
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Model reactions.
Published 2024“…<p>A: There are 11 reactions considered in the model: 5 involving unbinding, degradation, or exposure (non-crawling reactions), and 6 crawling reactions (4 within the same protofibril and 2 to a neighboring protofibril). …”
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Gillespie algorithm for the autocatalytic chemical reaction network from Asymmetric autocatalytic reactions and their stationary distribution
Published 2024“…Mathematica code for the GIllespie algorithm used to simulate the continuous Markov chain model of the autocatalytic reaction network…”
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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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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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Supervised Machine Learning Algorithms for Predicting Rate Constants of Ozone Reaction with Micropollutants
Published 2022“…In this work, several supervised machine learning (ML) algorithms, including multiple linear regression (MLR), support vector machine with radial basis function kernels (SVM-RBF), decision tree (DT), random forest (RF), and deep neutral network (DNN) methods, were used to develop quantitative structure–property relationship (QSPR) models for the estimation of log <i>k</i><sub>O3</sub>. …”