Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”

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

Subjects:

Unsupervised Machine Learning Organization of the Functional Dark Proteome of Gram-Negative “Superbugs”: Six Protein Clusters Amenable for Distinct Scientific Applications by Carlos Sicilia (14228509)

Subjects:

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

Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Em... by Kevin Carter-Fenk (6690314)

“…Our procedure introduces “natural charge-transfer orbitals” that provide a means to isolate orbitals that are most likely to participate in a CTTS excitation. Projection of these orbitals onto solvent-centered virtual orbitals provides a criterion for defining the most important solvent molecules in a given excitation and be used as an automated subspace selection algorithm for projection-based embedding of a high-level description of the CTTS state in a lower-level description of its environment. …”

S1 File - by Yuh-Chin T. Huang (17867207)

Subjects:

S1 Dataset - by Yuh-Chin T. Huang (17867207)

Subjects:

Super.Complex identifies likely protein complexes within a PPI network using a distributed supervised AutoML method. by Meghana Venkata Palukuri (11890672)

Subjects:

The AD-PSO-Guided WOA LSTM algorithm RMSE is based on the objective function compared to different algorithms. by Ahmed M. Elshewey (21463867)

“…<p>The AD-PSO-Guided WOA LSTM algorithm RMSE is based on the objective function compared to different algorithms.…”

Results of proposed algorithms and algorithms in [9] for 18 instances. by Jin Zhang (53297)

Information on the 23 Food and Drug Administration (FDA)-approved drugs that likely target three of the six hub genes. by Ravinder Sharma (13154079)

Subjects:

A hybrid algorithm based on improved threshold function and wavelet transform. by Bingbing Li (461702)

“…<p>A hybrid algorithm based on improved threshold function and wavelet transform.…”

Performance profile of the four algorithms based on the function value of iteration number. by Sulaiman M. Ibrahim (20614376)

“…<p>Performance profile of the four algorithms based on the function value of iteration number.…”

EELD problem solving process based on IALO algorithm. by Wenjing Wang (181404)

Benchmark functions T-test for the proposed and compared algorithms. by El-Sayed M. El-kenawy (14581088)

Comparison of the performance of the emulators as a function of the size of the training set (resolution) for the agent-based cellular automata (CA) model of brain tumours. by Andreas Christ Sølvsten Jørgensen (13911723)

Comparison of the performance of the emulators as a function of the size of the training set (resolution) for the agent-based cellular automata (CA) model of brain tumours. by Andreas Christ Sølvsten Jørgensen (13911723)

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. …”