Discover tylerjereddy/diffusion_analysis_MD

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Jupyter Notebook
License
MIT License
Created about 10 years ago
Updated over 2 years ago

tylerjereddy

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Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.

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PyCon 2016 Computational Geometry Tutorial

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Python utility code for handling spherical Voronoi Diagrams

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ten2eleven

MDAnalysis 0.10 to 0.11 conversion code based on python lib2to3

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scipy-cov-track

Track SciPy code base % line coverage over time

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pytest-regex

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cov_docs_testing

For testing docstring coverage with coverage.py and html

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debug_mda_2342

32-bit Docker container for working on MDA issue 2342

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bench_welch_array_api

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grid-point-sphere

Spherical Point in Polygon Implementation

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pykokkos_perf_compare

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debug_scipy_gcov

Docker-based debug work to get gcov working with SciPy on 32-bit Azure CI run

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conda_custom_docker1

custom miniconda docker container

bench_spherical_voronoi

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Python

bench_rusty_hausdorff

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cmake_fortran_module_integer_function

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asv_regen_debug

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csv_read_bench

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tylerjereddy/diffusion_analysis_MD_simulations

tylerjereddy

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