Search Results - "python"

easyPARM v4.00: A Python-based tool for the automated parameterization of metalloproteins and metal-organic polyhedra with multiple metal centers.

Authors: Abdelgawwad, Abdelazim M. A. Francés-Monerris, Antonio

Source: Journal of Chemical Physics. 12/14/2025, Vol. 163 Issue 22, p1-16. 16p.

Subject Terms: *PYTHON programming language, *PARAMETERIZATION, *METALLOPROTEINS, *MOLECULAR force constants, *MOLECULAR dynamics

pyTTN: An open-source toolbox for open and closed system quantum dynamics simulations using tree tensor networks.

Authors: Lindoy, Lachlan P. Rodrigo-Albert, Daniel Rath, Yannic et al.

Source: Journal of Chemical Physics. 11/28/2025, Vol. 163 Issue 20, p1-32. 32p.

Subject Terms: *PYTHON programming language, *TENSOR algebra, *HAMILTON'S principle function, *BENCHMARKING (Management)

A Python tutorial for 3DRISM solvation calculations of chemical and biological molecules.

Authors: Swanson, Peter C. Cao, Siqin Huang, Xuhui

Source: Journal of Chemical Physics. 11/7/2025, Vol. 163 Issue 17, p1-11. 11p.

Subject Terms: *PYTHON programming language, *BIOMOLECULES, *SOLVATION, *FREE energy (Thermodynamics), *SIMULATION methods & models, *C++

Conceptualization, design and optimal operation of hybrid AC-DC power router grids

Authors: Gadelha Teixeira Filho, Vinicius

Contributors: University/Department: Universitat Politècnica de Catalunya. Departament d'Enginyeria Elèctrica

Thesis Advisors: Sumper, Andreas, Bullich Massagué, Eduard

Source: TDX (Tesis Doctorals en Xarxa)

Subject Terms: Optimal power flow, Power router, Energy router, Distribution grid, Modelling, Smart grid, Second-order cone, Pyomo, Python, Branch-flow model, Converter losses, Modular-Multilevel Converter, Power router grid, Àrees temàtiques de la UPC::Enginyeria elèctrica, 621.3 - Enginyeria elèctrica. Electrotècnia. Telecomunicacions

File Description: application/pdf

Access URL: http://hdl.handle.net/10803/695075
https://dx.doi.org/10.5821/dissertation-2117-439793

Comprehensive energy modeling and optimization of hybrid PV-Wind systems for Ankara, Türkiye and Fujairah, UAE

Authors: Qamar, Shabahat Hasnain Farouk Salim Habib, Omar Ahmed Said, Zafar et al.

Source: Energy Conversion and Management. 29

Subject Terms: Hybrid Renewable Energy Systems (HRES), Techno-Economic Analysis (TEA), Python-Based Energy Modeling, Renewable Energy Integration, Photovoltaic-Wind Optimization

File Description: electronic

Access URL: https://urn.kb.se/resolve?urn=urn:nbn:se:hig:diva-49148
https://doi.org/10.1016/j.ecmx.2026.101520

Creating a Python platform for students to learn full-stack development of financial applications.

Authors: Tang, Song¹ (AUTHOR) st290@nyu.edu

Source: Financial Innovation. 1/21/2026, Vol. 12 Issue 1, p1-29. 29p.

Subject Terms: *COMPUTER software development, *EMPLOYABILITY, *FINANCE software, PYTHON programming language, FINANCE education

Modular approaches and applications in reinforcement learning development and validation of next-generation frameworks

Authors: Bou Hernández, Albert

Contributors: University/Department: Universitat Pompeu Fabra. Departament de Tecnologies de la Informació i les Comunicacions

Thesis Advisors: De Fabritiis, Gianni

Source: TDX (Tesis Doctorals en Xarxa)

Subject Terms: Deep reinforcement learning, Decision-making algorithms, Python libraries, PyTorch, TorchRL, Drug design

File Description: application/pdf

Access URL: http://hdl.handle.net/10803/694233

libMobility: A Python library for hydrodynamics at the Smoluchowski level.

Authors: Fish, Ryker Carter, Adam Diez-Silva, Pablo et al.

Source: Journal of Chemical Physics; 1/28/2026, Vol. 164 Issue 4, p1-17, 17p

Subject Terms: HYDRODYNAMICS, BIOPHYSICS, BOUNDARY value problems, PYTHON programming language, COMPUTATIONAL fluid dynamics

Base, Instruct, and Fine-Tune: Evaluating LLMs for Cross-Language Flaky Test Detection

Authors: Ahmad, Azeem Sun, Xin

Source: IEEE Access. 13:205254-205277

Subject Terms: Codes, Java, Semantics, C plus plus languages, Python, Large language models, Vocabulary, Training, Adaptation models, Robustness, Flaky tests, non-deterministic tests, fine-tuning, software testing, large language models, base models

File Description: print

Access URL: https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-220548
https://doi.org/10.1109/ACCESS.2025.3639645

Why Do Machine Learning Notebooks Crash? An Empirical Study on Public Python Jupyter Notebooks

Authors: Wang, Yiran Meijer, Willem Lopez, Jose Antonio Hernandez et al.

Source: IEEE Transactions on Software Engineering. 51(7):2181-2196

Subject Terms: Computer bugs, Libraries, Codes, Pipelines, Data models, Python, Data science, Software development management, Training, Semantics, Software bugs, machine learning, Jupyter notebooks, empirical study, crashes

File Description: electronic

Access URL: https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-216777
https://doi.org/10.1109/TSE.2025.3574500

Understanding Flaky Tests Through Linguistic Diversity: A Cross-Language and Comparative Machine Learning Study

Authors: Ahmad, Azeem Sun, Xin Naeem, Muhammad Rashid et al.

Source: IEEE Access. 13:54561-54584

Subject Terms: Codes, Accuracy, Vocabulary, Java, Feature extraction, Python, Training, Reproducibility of results, Random forests, Programming, Flaky tests, non-deterministic tests, machine learning, artificial intelligence, software testing

File Description: electronic

Access URL: https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-213193
https://doi.org/10.1109/ACCESS.2025.3553626

MANAGING FLIGHTS DURING FOG EVENTS ON THE EXAMPLE OF KRAKÓW-BALICE AIRPORT.

Authors: OLEKSÓW, Mikołaj BRYŚ, Mateusz SANGUEDOLCE, Christian et al.

Source: Scientific Papers of Silesian University of Technology. Organization & Management / Zeszyty Naukowe Politechniki Slaskiej. Seria Organizacji i Zarzadzanie. 2025, Issue 224, p405-420. 16p.

Subject Terms: *DECISION making in investments, *QUANTITATIVE research, PYTHON programming language, ACQUISITION of data, EXPERIMENTAL design

UNMANAGED TEMPLATES.

Authors: Salmanov, Vugar Eyvazov, Zaur

Source: German International Journal of Modern Science / Deutsche Internationale Zeitschrift für Zeitgenössische Wissenschaft. Nov2025, Issue 116, p91-94. 4p.

Subject Terms: *PROGRAMMING languages, PYTHON programming language, SYNTAX in programming languages, DESIGN

Multi-objective optimization for social multifamily housing: minimizing heating and cooling demand

Authors: Benincá, Letiane

Contributors: University/Department: Universitat Politècnica de Catalunya. Departament de Tecnologia de l'Arquitectura

Thesis Advisors: Crespo Sánchez, Eva, Passuello, Ana Carolina

Source: TDX (Tesis Doctorals en Xarxa)

Subject Terms: Multi-objective optimization, Genetic algorithm, NSGA-II, Energy efficiency, Cooling demand, Heating demand, EnergyPlus, Python, Social housing, Otimização multiobjetivo, Algoritmo genético, Eficiência energética, Demanda de resfriamento, Demanda de aquecimento, Habitação de interesse social, Optimización multiobjetivo, Demanda de refrigeración, Demanda de calefacción, Vivienda social, Optimització multiobjectiu, Algoritme genètic, Eficiència energètica, Demanda de refrigeració, Demanda de calefacció, Habitatge social, Àrees temàtiques de la UPC::Arquitectura, Àrees temàtiques de la UPC::Edificació

File Description: application/pdf

Access URL: http://hdl.handle.net/10803/693063
https://dx.doi.org/10.5821/dissertation-2117-421449

Interactive Pharmacokinetics: A Software for Discovery, Analysis, and Simulation.

Alternate Title: İnteraktif Farmakokinetik: Keşif, Analiz ve Simülasyon Yazılımı.

Authors: Güvel, Muhammed Cihan Uluoğlu, Canan

Source: Gazi Medical Journal. Jan2026, Vol. 37 Issue 1, p31-38. 8p.

Subject Terms: *OPEN source software, *PYTHON programming language, *DRUG interactions, *GRAPHICAL user interfaces, *COMPUTER simulation, *COMPUTER software development, *PHARMACOLOGISTS

Enhancing Undergraduate Research Readiness in Water and Energy: A One-Week Bootcamp Integrating FAIR Data Principles, Python, and Machine Learning.

Authors: Mostacedo-Marasovic, Silvia-Jessica Ahmad, Junaid Chakravarthy, Sharma et al.

Source: Journal of College Science Teaching. Jan/Feb2026, Vol. 55 Issue 1, p26-33. 8p.

Subject Terms: *PYTHON programming language, *MACHINE learning, *DATA integrity, *CYBERINFRASTRUCTURE, *STUDENT projects, *WATER supply, *SELF-efficacy, *SEMINARS

Company/Entity: NATIONAL Science Foundation (U.S.)

Developing Python-Based Software for Neutrosophic Set Operations.

Authors: Vidhya, D. Subha, E.

Source: Neutrosophic Sets & Systems. 2025, Vol. 91, p480-491. 12p.

Subject Terms: *OBJECT-oriented programming, *PYTHON programming language, *DATA visualization, *ENTROPY, *COMPUTER software

Computation of Distance-Based Polynomials and Topological Indices for Generalized Friendship Graphs (G (n, k)): A Python-Based Approach.

Authors: Altassan, A. Ahmad, H.

Source: Malaysian Journal of Mathematical Sciences. Dec2025, Vol. 19 Issue 4, p1453-1470. 18p.

Subject Terms: *GRAPH theory, *PYTHON programming language, *GRAPH connectivity

polars-bio—fast, scalable, and out-of-core operations on large genomic interval datasets.

Authors: Wiewiórka, Marek Khamutou, Pavel Zbysiński, Marek et al.

Source: Bioinformatics. Dec2025, Vol. 41 Issue 12, p1-5. 5p.

Subject Terms: *PYTHON programming language, *SCALABILITY, *DATA analysis, *DATA analytics, *PROGRAMMING languages

CryoLike: a Python package for cryo‐electron microscopy image‐to‐structure likelihood calculations.

Authors: Tang, Wai Shing Soules, Jeff Rangan, Aaditya et al.

Source: Acta Crystallographica: Section D, Structural Biology. Dec2025, Vol. 81 Issue 12, p660-667. 8p.

Subject Terms: *ELECTRON cryomicroscopy, *PYTHON programming language, *BESSEL functions, *BIOMOLECULES, *IMAGE representation, *OPTIMIZATION algorithms, *MEASUREMENT uncertainty (Statistics), *BAYESIAN analysis