Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures. by Kevin Sawade (16726527)

“…However, our algorithm was 1000 times faster than pyROSETTA (both algorithms have been parallelized on a per-structure basis using the Python package joblib [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010531#pcbi.1010531.ref069" target="_blank">69</a>]).…”

Image_1_KairoSight: Open-Source Software for the Analysis of Cardiac Optical Data Collected From Multiple Species.TIF by Blake L. Cooper (11622613)

“…Despite the refinement of software tools and algorithms, significant programming expertise is often required to analyze large optical data sets, and data analysis can be laborious and time-consuming. …”

Pyrho Validation - Check re-gridded periodic data by Jimmy Shen (12664675)

Uniform mesh of <i>nx</i> points in 1D for the FDM scheme. by Rutinaldo Aguiar Nascimento (14259594)

Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations by Stefan Grimme (1321575)

“…Due to the approximate character of the GFN2-xTB method, the resulting structure ensembles require further refinement with more sophisticated, for example, density functional or wave function theory methods. However, the approach is extremely efficient running routinely on common laptop computers in minutes to hours of computation time even for realistically sized molecules with a few hundred atoms. …”

MCLP_quantum_annealer_V0.5 by Anonymous Anonymous (4854526)

“…The results demonstrate the effectiveness of the QUBO-MCLP algorithm workflow, with TOICCAP successfully converting slack variables in inequality-constrained functions for p>2, and LTOICCAP effectively reducing the number of linear and quadratic variables. …”

Schematic example of multiscale modelling implementation. by Robyn M. Stuart (3754000)

Simulation specifications for figure. by Nicholas H. Vitale (20469289)

“…<div><p>We present a model for the noise and inherent stochasticity of fluorescence signals in both continuous wave (CW) and time-gated (TG) conditions. When the fluorophores are subjected to an arbitrary excitation photon flux, we apply the model and compute the evolution of the probability mass function (pmf) for each quantum state comprising a fluorophore’s electronic structure, and hence the dynamics of the resulting emission photon flux. …”

Expected behavior system of ODEs. by Nicholas H. Vitale (20469289)

“…<div><p>We present a model for the noise and inherent stochasticity of fluorescence signals in both continuous wave (CW) and time-gated (TG) conditions. When the fluorophores are subjected to an arbitrary excitation photon flux, we apply the model and compute the evolution of the probability mass function (pmf) for each quantum state comprising a fluorophore’s electronic structure, and hence the dynamics of the resulting emission photon flux. …”

Example fluorophores. by Nicholas H. Vitale (20469289)

“…<div><p>We present a model for the noise and inherent stochasticity of fluorescence signals in both continuous wave (CW) and time-gated (TG) conditions. When the fluorophores are subjected to an arbitrary excitation photon flux, we apply the model and compute the evolution of the probability mass function (pmf) for each quantum state comprising a fluorophore’s electronic structure, and hence the dynamics of the resulting emission photon flux. …”

PyPEFAn Integrated Framework for Data-Driven Protein Engineering by Niklas E. Siedhoff (11133851)

“…Data-driven strategies are gaining increased attention in protein engineering due to recent advances in access to large experimental databanks of proteins, next-generation sequencing (NGS), high-throughput screening (HTS) methods, and the development of artificial intelligence algorithms. However, the reliable prediction of beneficial amino acid substitutions, their combination, and the effect on functional properties remain the most significant challenges in protein engineering, which is applied to develop proteins and enzymes for biocatalysis, biomedicine, and life sciences. …”

An approach to explaining formants (Story, 2024) by Brad H. Story (17920399)

“…The approach is to explain formants as prominent regions of energy in the output spectrum envelope radiated at the lips, and how they arise as the superposition of vocal tract resonances on a source signal. Standing waves associated with vocal tract resonances are briefly explained and standing wave animations are provided. …”

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

Multidomain, Automated Photopatterning of DNA-functionalized Hydrogels (MAPDH). by Moshe Rubanov (7289156)

“…<b>B)</b> Pseudocode for MAPDH in Python. The algorithm takes as input the vials that will be flowed through the patterning chamber. …”

Recursive-Expansive Dynamics Frameworks Formalization with Negation Isolation and Inverse Zero Operators by Del Bel, Julian (21403013)

Subjects: “…Mathematical methods and special functions…”

Algoritmo de clasificación de expresiones de odio por tipos en español (Algorithm for classifying hate expressions by type in Spanish) by Daniel Pérez Palau (11097348)

“…</a></p><p dir="ltr">More information:</p><ul><li><a href="https://www.hatemedia.es/" rel="nofollow" target="_blank">https://www.hatemedia.es/</a> or contact: <a href="mailto:elias.said@unir.net" target="_blank">elias.said@unir.net</a></li><li>This algorithm is related to the hate/non-hate classification algorithm, also developed by the authors: <a href="https://github.com/esaidh266/Algorithm-for-detection-of-hate-speech-in-Spanish" target="_blank">https://github.com/esaidh266/Algorithm-for-detection-of-hate-speech-in-Spanish</a></li><li>This algorithm is related to the algorithm for classifying hate expressions by intensities in Spanish, also developed by the authors: <a href="https://github.com/esaidh266/Algorithm-for-classifying-hate-expressions-by-intensities-in-Spanish" target="_blank">https://github.com/esaidh266/Algorithm-for-classifying-hate-expressions-by-intensities-in-Spanish</a></li></ul><p></p>…”

Integration of Morphoscanner with MDAnalysis, NGLview and Networkx. by Federico Fontana (533670)

Stochastic Generalized Active Space Self-Consistent Field: Theory and Application by Oskar Weser (7408478)

“…Stochastic-GAS allows the construction and stochastic optimization of preselected truncated configuration interaction wave functions, either to reduce the computational costs of large active space wave function optimizations, or to probe the role of specific electron correlation pathways. …”