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

"…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …"

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

<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.…"

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. …"

Example of the CNF function for off-axis DHM holograms recorded in a non-telecentric configuration. حسب Raul Castañeda (13932971)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. حسب Francisco Páscoa dos Santos (16510676)

"…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …"

Cost functions implemented in Neuroptimus. حسب Máté Mohácsi (20469514)

Adaptive H-REMD simulation algorithm. حسب Danial Pourjafar-Dehkordi (7165523)

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

Reward function related parameters. حسب Honglei Pang (22693724)

الموضوعات:

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)

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

الموضوعات:

The optimal solution set of NYN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

The optimal solution set of HN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

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

"…</div><div><br></div><div>The `TAMS` folder contains the necessary files to run the TAMS algorithm. The `main.py` file is the file to be executed using a command of the type `python main.py`. …"

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

Flowchart of proposed fitness function algorithm. حسب Ferhat Yuna (21519851)

الموضوعات:

Proposed algorithm convergence curves versus other competing algorithms for the seven benchmark functions. حسب El-Sayed M. El-kenawy (14581088)

Example of landmark registration to align ‘peaks’ of high density in the probability density function (PDF) of CD4 expression on blood T cells for a target distribution and chosen... حسب Ross J. Burton (10941910)

A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density. حسب Hassan Mehboob (8960273)

"…<p>A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.…"