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1

PYTHON SCRIPTING FOR COMPUTATIONAL SCIENCE.
LANGTANGEN, HANS PETTER, 1962-

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PYTHON SCRIPTING FOR COMPUTATIONAL SCIENCE.
LANGTANGEN, HANS PETTER, 1962-

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4

Assessing the accuracy and efficacy of multiscale computational methods in predicting reaction mechanisms and kinetics of SN2 reactions and Claisen rearrangement
Maryam Haji Dehabadi ; Hamid Saidi ; Faezeh Zafari ; et al.
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)

Multiscale modeling ORCA software QM/MM Reaction mechanism Python scripting Medicine …
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5

Python Scripting for Computational Science
Texts in Computational Science and Engineering ISBN: 9783540739159

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6

Python Scripting for Computational Science
Texts in Computational Science and Engineering ISBN: 3540294155

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7

Python Scripting for Computational Science
Hans Petter Langtangen ; Hans Petter Langtangen
Texts in Computational Science and Engineering ISBN: 9783662054529

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8

Evaluating In-Plane Reliability of Unreinforced Masonry Walls through a Mortar Joint Compressive Strength Random Field Model
Owoeye, Abayomi ; Duprat, Frederic ; de Larrard, Thomas ; et al.
26e Congrès Français de Mécanique, Laboratoire d'Etude des Microstructures et de Mécanique des Matériaux (LEM3 - UMR CNRS 7239), Aug 2025, Metz, France

Metz, France Masonry Reliability Random fields Spatial Variability Uncertainty Propagation …
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9

Automating MD simulations for Proteins using Large language Models: NAMD-Agent
Chandrasekhar, Achuth ; Farimani, Amir Barati

Computation and Language Computational Engineerin... Biomolecules
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10

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13

eqtools: Modular, extensible, open-source, cross-machine Python tools for working with magnetic equilibria
Chilenski, M.A. ; Faust, I.C. ; Walk, J.R.
In Computer Physics Communications January 2017 210:155-162

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14

Differentiable Scripting
Naumann, Uwe

Computer Science - Mathe...
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15

Advanced electromagnetic-mechanical coupling analysis of superconducting magnets using an integrated multiphysics FE platform
Zhang, Houyuan ; Han, Zhengnan ; Xin, Canjie ; et al.
In Fusion Engineering and Design November 2025 220

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16

Python to Accelerate Embedded SoC Design: A Case Study for Systems Biology.
LOGARAS, EVANGELOS ; HAZAPIS, ORSALIA G. ; MANOLAKOS, ELIAS S.
ACM Transactions on Embedded Computing Systems; Feb2014, Vol. 13 Issue 4, p84-84:25, 26p

SCRIPTING languages (Com... VHDL (Computer hardware... SYSTEMS biology PYTHON programming langu... STOCHASTIC analysis COMPUTER simulation …
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17

KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations
Leetmaa, Mikael ; Skorodumova, Natalia V.
In Computer Physics Communications September 2014 185(9):2340-2349

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18

Meeting the challenge of genomic analysis: a collaboratively developed workshop for pangenomics and topological data analysis.
Contreras-Peruyero, Haydeé ; Guerrero-Flores, Shaday ; Zirión-Martínez, Claudia ; et al.
Bioinformatics Advances; 2024, Vol. 4 Issue 1, p1-9, 9p

COMPUTATIONAL biology GENOMICS GENETIC variation PAN-genome RESEARCH personnel
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19

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20

Python as a federation tool for GENESIS 3.0.
Hugo Cornelis ; Armando L Rodriguez ; Allan D Coop ; et al.
PLoS ONE, Vol 7, Iss 1, p e29018 (2012)

Medicine Science
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