• Suche: "python programming language"

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1

dynsight: An open Python platform for simulation and experimental trajectory data analysis.
Martino, Simone ; Becchi, Matteo ; Tarzia, Andrew ; et al.
Journal of Chemical Physics. 2/28/2026, Vol. 164 Issue 8, p1-9. 9p.

PYTHON programming langu... DATA analysis SIMULATION methods & mod... WORKFLOW management MOLECULAR dynamics
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2

easyPARM v4.00: A Python-based tool for the automated parameterization of metalloproteins and metal-organic polyhedra with multiple metal centers.
Abdelgawwad, Abdelazim M. A. ; Francés-Monerris, Antonio
Journal of Chemical Physics. 12/14/2025, Vol. 163 Issue 22, p1-16. 16p.

PYTHON programming langu... PARAMETERIZATION METALLOPROTEINS MOLECULAR force constant... MOLECULAR dynamics
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3

pyTTN: An open-source toolbox for open and closed system quantum dynamics simulations using tree tensor networks.
Lindoy, Lachlan P. ; Rodrigo-Albert, Daniel ; Rath, Yannic ; et al.
Journal of Chemical Physics. 11/28/2025, Vol. 163 Issue 20, p1-32. 32p.

PYTHON programming langu... TENSOR algebra HAMILTON'S principle fun... BENCHMARKING (Management...
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4

A Python tutorial for 3DRISM solvation calculations of chemical and biological molecules.
Swanson, Peter C. ; Cao, Siqin ; Huang, Xuhui
Journal of Chemical Physics. 11/7/2025, Vol. 163 Issue 17, p1-11. 11p.

PYTHON programming langu... BIOMOLECULES SOLVATION FREE energy (Thermodynam... SIMULATION methods & mod... C++
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5

Virtual and digital models of development of production business processes of industrial enterprises.
Zhukov, Aleksandr ; Ponomareva, Svetlana ; Khachaturyan, Suren ; et al.
AIP Conference Proceedings. 3/9/2026, Vol. 3390 Issue 1, p1-5. 5p.

RUSSIA PYTHON programming langu... DIGITAL twin MANUFACTURING industries REENGINEERING (Managemen... MANUFACTURING process ma... …
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6

ARIMA based smart computing model developed in python for monthly international tourist arrivals (ITAs) prediction in India.
Kulshrestha, Akshay Shanker ; Juyal, Deepak ; Dani, Rakesh ; et al.
AIP Conference Proceedings. 3/6/2026, Vol. 3365 Issue 1, p1-8. 8p.

INDIA INTERNATIONAL tourism PYTHON programming langu... COVID-19 pandemic BOX-Jenkins forecasting TREND analysis …
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7

Stress detection using a novel python based sentiment analysis technique.
Goyal, Anita ; Singh, Maninder ; Goyal, Anmol
AIP Conference Proceedings. 2026, Vol. 3382 Issue 1, p1-9. 9p.

SENTIMENT analysis PYTHON programming langu... STRESS management FACIAL expression SOCIAL network analysis LINGUISTICS …
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8

metatensor and metatomic: Foundational libraries for interoperable atomistic machine learning.
Bigi, Filippo ; Abbott, Joseph W. ; Loche, Philip ; et al.
Journal of Chemical Physics; 2/14/2026, Vol. 164 Issue 6, p1-19, 19p

MACHINE learning ATOMS SIMULATION software METADATA PYTHON programming langu...
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9

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers.
Morelock, Ryan ; Bagchi, Soumendu ; Briggs, Emil ; et al.
Journal of Chemical Physics; 2/7/2026, Vol. 164 Issue 5, p1-20, 20p

DENSITY functional theor... SUPERCOMPUTERS GRAPHICS processing unit... PYTHON programming langu... FOURIER transform infrar...
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10

libMobility: A Python library for hydrodynamics at the Smoluchowski level.
Fish, Ryker ; Carter, Adam ; Diez-Silva, Pablo ; et al.
Journal of Chemical Physics; 1/28/2026, Vol. 164 Issue 4, p1-17, 17p

HYDRODYNAMICS BIOPHYSICS BOUNDARY value problems PYTHON programming langu... COMPUTATIONAL fluid dyna...
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11

Python for All: A Library Workshop for Bridging AI Literacy and Coding Skills.
Scotti, Kristen L. ; McKee, Lencia
College & Research Libraries. Mar2026, Vol. 87 Issue 2, p127-140. 14p.

PYTHON programming langu... ARTIFICIAL intelligence COMPUTER programming edu... DEBUGGING CHATBOTS
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12

Teach Me How to PyCap: A High‐Capacity Well Decision Support Tool Using Analytical Solutions in Python.
Fienen, Michael N. ; Pruitt, Aaron H. ; Reeves, Howard W.
Ground Water. Mar/Apr2026, Vol. 64 Issue 2, p223-234. 12p.

ANALYTICAL solutions PYTHON programming langu... WATER conservation WATER management MONTE Carlo method PRESSURE drop (Fluid dyn... …
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13

COMPUTATIONAL STUDY OF FUZZY NEUTROSOPHIC SOFT MATRICES IN PYTHON: CONSISTENCY AND WEAK TRANSITIVITY.
Kavitha, M. ; Sive, M. ; Murugadas, P. ; et al.
Neutrosophic Sets & Systems. 2026, Vol. 97, p48-76. 29p.

PYTHON programming langu... ALGORITHMS HYPOTHESIS ELECTRONIC data processi...
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14

TAPAS: Transient Absorption Processing and Analysis Software.
Frech, Philipp ; Scheele, Marcus
ChemPhotoChem. Jan2026, Vol. 10 Issue 1, p1-12. 12p.

PYTHON programming langu... BAYESIAN analysis ELECTRONIC data processi... STATISTICAL measurement ABSORPTION PREDICTION models …
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15

Interactive Pharmacokinetics: A Software for Discovery, Analysis, and Simulation.
Güvel, Muhammed Cihan ; Uluoğlu, Canan
Gazi Medical Journal. Jan2026, Vol. 37 Issue 1, p31-38. 8p.

OPEN source software PYTHON programming langu... DRUG interactions GRAPHICAL user interface... COMPUTER simulation COMPUTER software develo... …
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16

Data retrieval from local heritage books—Is artificial intelligence the solution?
Stelter, Robert ; Biehler, Rafael
Historical Methods. Jan-Mar2026, Vol. 59 Issue 1, p1-19. 19p.

DATA extraction PYTHON programming langu... DEMOGRAPHY TEXTBOOKS ECONOMIC history INFORMATION retrieval …
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17

Enhancing Undergraduate Research Readiness in Water and Energy: A One-Week Bootcamp Integrating FAIR Data Principles, Python, and Machine Learning.
Mostacedo-Marasovic, Silvia-Jessica ; Ahmad, Junaid ; Chakravarthy, Sharma ; et al.
Journal of College Science Teaching. Jan/Feb2026, Vol. 55 Issue 1, p26-33. 8p.

NATIONAL Science Foundat... PYTHON programming langu... MACHINE learning DATA integrity CYBERINFRASTRUCTURE STUDENT projects …
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18

Parallel value iteration as an introduction to undergraduate-level parallel computing courses.
Kristiana, Lisa ; Manurung, Auralius
AIP Conference Proceedings. 2025, Vol. 3351 Issue 1, p1-5. 5p.

PARALLEL programming PYTHON programming langu... OPTIMAL control theory PROJECT method in teachi... REINFORCEMENT learning DISTRIBUTED computing …
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19

Development of application programming interface for automatic identification system data.
Supria ; Faizi, M. Nur ; Afridon, M. ; et al.
AIP Conference Proceedings. 2025, Vol. 3334 Issue 1, p1-7. 7p.

PYTHON programming langu... DATA security SOFTWARE frameworks AUTOMATIC identification SHIP traffic control WEB services
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20

Improving efficiency in list creation: Utilizing Python's list comprehension.
Dwivedi, Sarvesh Kumar ; Nazim, Mohd. ; Sharma, Surya Prakash
AIP Conference Proceedings. 2025, Vol. 3297 Issue 1, p1-7. 7p.

PYTHON programming langu... COMPUTER science DATA structures MATHEMATICAL optimizatio... TIME complexity
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