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

"…In `main.py`, the parameters for the TAMS algorithm are specified (trajectory time, time step, score function, number of particles, type of score threshold, maximum number of iterations, noise level etc.). …"

Listed python codes of our algorithm with explanations (Python 3.9 recommended). حسب Takayuki Niizato (162226)

Damping oscillation function (before adding random numbers). حسب Fujun Wang (96184)

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

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

"…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). …"

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

"…</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.…"

Results obtained by different algorithms on 23 benchmark functions. حسب Yuqi Xiong (12343771)

الموضوعات:

The comparison of TL before and after optimization. حسب Shangyang Jin (21772466)

The comparison of TL before and after optimization. حسب Shangyang Jin (21772466)

Comparison of loss function curves before and after improvement. حسب Xiaozhou Feng (2918222)

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

الموضوعات: "…evolutionary genetic algorithm…"

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

الموضوعات: "…evolutionary genetic algorithm…"

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

الموضوعات:

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

Convergence curves obtained by different algorithms on 23 benchmark functions. حسب Yuqi Xiong (12343771)

الموضوعات:

Different algorithms in 23 benchmark functions to obtain partial boxplot. حسب Yuqi Xiong (12343771)

الموضوعات:

Results obtained by different algorithms on CEC2022 benchmark functions. حسب Yuqi Xiong (12343771)

الموضوعات:

The losses of the training process before and after the optimization of loss function. حسب Peihan Wen (6324315)

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. …"

Convergence curves obtained by different algorithms on CEC2022 benchmark functions. حسب Yuqi Xiong (12343771)

الموضوعات: