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

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

Mean and covariance estimation of functional data streams حسب Mingxue Quan (13282368)

الموضوعات:

Types of training algorithms. حسب Caixia Yan (6647072)

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases حسب Maru Song (22593561)

الموضوعات:

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional حسب Ryan Stocks (16867476)

"…In this work, we present a comparative study of four GPU-accelerated algorithms for evaluating the KS-DFT exchange–correlation (XC) potential with an atom-centered Gaussian basis. …"

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

"…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …"

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

"…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…"

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz حسب Faizan Ali (21689861)

الموضوعات:

Python-based Monte Carlo Simulation Tool حسب Yangfan Jiang (9372782)

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

الموضوعات:

The image of the Aekley function. حسب Zhengyu Xu (8550660)

Parameters of the genetic algorithm. حسب Jian Ma (170138)

Algorithm pseudocode. حسب Cheng-jie Chen (22272090)

"…In order to improve the clarity and visual effect of product appearance design, a visual edge feature enhancement method for product appearance design images based on an improved Retinex algorithm is proposed. …"

An expectation-maximization algorithm for finding noninvadable stationary states. حسب Robert Marsland (8616483)

"…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b>⁰ (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …"

Verification of the in-line PS function. حسب Raul Castañeda (13932971)

The RBFNN as a classifier. حسب Ali Ahmed (2567584)

الموضوعات:

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements حسب Pascal Wang (10130612)

"…<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. …"

Immune infiltration analysis by ssGSEA algorithm. حسب Yubin Xue (1537042)

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... حسب Giacomo Janson (8138517)

Networking Chemicals Flows: Efficiency–Value–Environment Functionalized Symbiosis Algorithms and Application حسب Yizheng Lyu (17346506)