Treffer 81 - 100 von 538

81

Amp: A modular approach to machine learning in atomistic simulations
Alireza Khorshidi ; Andrew A. Peterson
Computer Physics Communications. 207:310-324

0103 physical sciences 02 engineering and techn... 0210 nano-technology 01 natural sciences
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82

F2PY: a tool for connecting Fortran and Python programs
Pearu Peterson
International Journal of Computational Science and Engineering. 4:296

0301 basic medicine 03 medical and health sc... 0103 physical sciences 01 natural sciences
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83

A Finite Element Method for a Fourth Order Surface Equation With Application to the Onset of Cell Blebbing
Andreas Dedner ; Björn Stinner ; Adam Nixon
Frontiers in Applied Mathematics and Statistics, Vol 6 (2020)

0301 basic medicine T57-57.97 0303 health sciences Applied mathematics. Qua... QH unified form language
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84

K-Map: connecting kinases with therapeutics for drug repurposing and development
Jaewoo Kang ; Aik Choon Tan ; Minjae Yoo ; et al.
Hum Genomics

0301 basic medicine Internet 0303 health sciences 03 medical and health sc... Genome Database Mutation
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85

pynoddy 1.0: an experimental platform for automated 3-D kinematic and potential field modelling
J. Florian Wellmann ; Sam T. Thiele ; Mark D. Lindsay ; et al.
Geoscientific Model Development, Vol 9, Iss 3, Pp 1019-1035 (2016)
Geoscientific model development 9(3), 1019-1035 (2016). doi:10.5194/gmd-9-1019-2016

kinematic simulations QE1-996.5 13. Climate action Geology uncertainty analysis 01 natural sciences
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86

PharmaPy: An object-oriented tool for the development of hybrid pharmaceutical flowsheets.
Casas-Orozco, Daniel ; Laky, Daniel ; Wang, Vivian ; et al.
Computers & Chemical Engineering. Oct2021, Vol. 153, pN.PAG-N.PAG. 1p.

PYTHON programming langu... OBJECT-oriented methods... CHEMICAL processes BATCH processing CHEMICAL engineering MATHEMATICAL optimizatio...
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87

FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures.
Groen, Derek ; Bhati, Agastya P. ; Suter, James ; et al.
Computer Physics Communications. Oct2016, Vol. 207, p375-385. 11p.

COMPUTATIONAL complexity AUTOMATION DISTRIBUTION (Probabilit... INFRASTRUCTURE (Economic... INFORMATION theory POLYMERIC nanocomposites
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88

Getting Started with Python Scripting.
Barth, Timothy J. ; Griebel, Michael ; Keyes, David E. ; et al.
Python Scripting for Computational Science (978-3-540-73915-9); 2008, p27-72, 46p

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89

PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta
CHAUDHURY, Sidhartha ; LYSKOV, Sergey ; GRAY, Jeffrey J
Bioinformatics (Oxford. Print). 26(5):689-691

Bioinformatics Bioinformatique Sciences biologiques et... Biological and medical s... Sciences biologiques fon... Fundamental and applied...
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90

OpenABC enables flexible, simplified, and efficient GPU accelerated simulations of biomolecular condensates.
Liu, Shuming ; Wang, Cong ; Latham, Andrew P. ; et al.
PLoS Computational Biology. 9/11/2023, Vol. 19 Issue 9, p1-18. 18p. 2 Diagrams, 4 Graphs.

RNA splicing MOLECULAR dynamics CELL anatomy RIBOSOMAL RNA INTEGRATED software CENTRAL processing units
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91

Visualization of large data sets by mixing Tcl and C++ interfaces to the VTK library
MAGOULES, Frédéric ; PUTANOWICZ, Roman
High performance computing for computational mechanicsComputers & structures. 85(9):536-552

Computer science Informatique Mechanics acoustics Mécanique et acoustique Sciences exactes et tech... Exact sciences and techn...
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92

Grid Matrix: a grid simulation tool to focus on the propagation of resource and monitoring information
MOCSKOS, Esteban E ; YABO, Pablo ; TURJANSKI, Pablo G ; et al.
Simulation (San Diego, Calif.). 88(10):1233-1246

Control theory, operatio... Automatique, recherche o... Electronics Electronique Computer science Informatique
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93

An open-source framework for the FE modeling and optimal design of fiber-steered variable-stiffness composite cylinders using water strider algorithm.
Kaveh, A. ; Malek, N. Geran ; Eslamlou, A. Dadras ; et al.
Mechanics Based Design of Structures & Machines. 2023, Vol. 51 Issue 1, p138-158. 21p.

METAHEURISTIC algorithms WATER use FINITE element method COMPOSITE structures ALGORITHMS MATHEMATICAL optimizatio...
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94

Utility library for structural bioinformatics
Dominik Gront ; Andrzej Kolinski
Bioinformatics. 24:584-585

0301 basic medicine 0303 health sciences 03 medical and health sc... Libraries Computational Biology Software
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95

A Virtual Test Facility for the Simulation of Dynamic Response in Materials: A virtual test facility for the simulation of dynamic response in materials
Cummings, Julian ; Aivazis, Michael ; Samtaney, Ravi ; et al.
The Journal of Supercomputing. 23:39-50

Other programming paradi... Computing methodologies... parallel computing shock physics simulation 0103 physical sciences 01 natural sciences
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96

Digital Twin Geometry for Fibrous Air Filtration Media
Ivan P. Beckman ; Gentry Berry ; Heejin Cho ; et al.
Fibers, Vol 9, Iss 12, p 84 (2021)
Fibers; Volume 9; Issue 12; Pages: 84

single fiber efficiency analytical filtration mo... digital twin geometry fiber geometry modeling nonwoven nanofibrous fil... solid volume fraction
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97

New approach for modeling randomly distributed CNT reinforced polymer nanocomposite with van der Waals interactions.
Caliskan, Umut ; Gulsen, Hilal ; Apalak, Mustafa Kemal
Mechanics of Advanced Materials & Structures. 2024, Vol. 31 Issue 1, p218-229. 12p.

MULTISCALE modeling POLYMERIC nanocomposites NANOCOMPOSITE materials NANOPARTICLES POLYMERS CARBON nanotubes
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98

relax: the analysis of biomolecular kinetics and thermodynamics using NMR relaxation dispersion data
Morin, Sébastien ; Linnet, Troels, E. ; Lescanne, Mathilde ; et al.
Applied Bioinformatics. 30(15):2219-2220

Thermodynamics Statistics as Topic Software Biomolecular Kinetics Nuclear Magneti... User-Computer Interface
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99

Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins
Martin J. Field ; Mikolaj Feliks
Journal of Chemical Information and Modeling. 55:2288-2296

Models, Molecular 0301 basic medicine 0303 health sciences Static Electricity Proteins Luminescent Proteins
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100

Advanced Python
Texts in Computational Science and Engineering ; Python Scripting for Computational Science ; page 319-449 ; ISSN 1611-0994 ; ISBN 9783540739159 9783540739166

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