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. …”

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

Subjects:

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

Subjects:

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by 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. …”

Types of training algorithms. by Caixia Yan (6647072)

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

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by 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. …”

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

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

Subjects:

An expectation-maximization algorithm for finding noninvadable stationary states. by 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. …”

Algorithm pseudocode. by 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. …”

DMTD algorithm. by Yunhu Huang (21402795)

“…On the basis of EITO_E, we propose EITO_P algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by 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. by Yubin Xue (1537042)

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

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

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

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

Performance profiles of these algorithms on the basis of the number of function evaluations. by Xianfeng Ding (535904)

“…<p>Performance profiles of these algorithms on the basis of the number of function evaluations.…”

The schematic view of the Radial Basis Function (RBF) algorithm. by Mohsen Yoosefzadeh-Najafabadi (6917399)

“…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”