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modular implementation » model implementation (Expand Search), world implementation (Expand Search)
code implementation » model implementation (Expand Search), time implementation (Expand Search), pre implementation (Expand Search)
code presented » model presented (Expand Search), side presented (Expand Search), order presented (Expand Search)
modular implementation » model implementation (Expand Search), world implementation (Expand Search)
code implementation » model implementation (Expand Search), time implementation (Expand Search), pre implementation (Expand Search)
code presented » model presented (Expand Search), side presented (Expand Search), order presented (Expand Search)
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Python implementation of the geometric minimum action method (gMAM)
Published 2021“…<p>The Python 3 script <code>gmam_demo.py</code> found in this repository implements the geometric minimum action method (gMAM) as presented in Heymann, M. and Vanden-Eijnden, E. (2008), "The geometric minimum action method: A least action principleon the space of curves." …”
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Multiprocessing and GPU application of SVMs significantly reduces run-times.
Published 2022Subjects: -
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WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data
Published 2024“…Given the growing interest in path sampling methods for extending the time scales of molecular dynamics (MD) simulations, there has been great interest in software tools that streamline the generation of plots for monitoring the progress of large-scale simulations. Here, we present the WEDAP Python package for simplifying the analysis of data generated from either conventional MD simulations or the weighted ensemble (WE) path sampling method, as implemented in the widely used WESTPA software package. …”
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2D Orthogonal Planes Split: <b>Python</b> and <b>MATLAB</b> code | <b>Source Images</b> for Figures
Published 2025“…The output files generated by the code include results from both Python and MATLAB implementations; these output images are provided as validation, demonstrating that both implementations produce matching results.…”
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Fluent Python nuggets. A brief presentation.
Published 2020“…Some nuggets of Python coding wisdom out of the book Fluent Python by Lucian Ramalho. …”
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DataSheet_1_AirSeaFluxCode: Open-source software for calculating turbulent air-sea fluxes from meteorological parameters.pdf
Published 2023“…This means that empirical “bulk formulae” parameterizations that relate direct flux observations to concurrent measurements of the mean meteorological and sea surface variables contain considerable uncertainty. In this paper, we present a Python 3.6 (or higher) open-source software package “AirSeaFluxCode” for the computation of the heat (latent and sensible) and momentum fluxes. …”