atravitz

Alyssa Travitz's repositories

An autocorrelation plug-in for HOOMD-blue based on Ramirez et al. DOI: 10.1063/1.3491098

Language:PythonMIT600

A script that uses pyMBAR to calculate potential of mean force for a set of umbrella sampling data

Language:PythonBSD-3-Clause3 10

Learning Python through test-driven development of games and puzzles

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Alyssa Travitz's Personal Website

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Computational homework assignment #2 for CHE 629, 2021

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HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.

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Python class to generate Packmol input files

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Workflow management for signac-managed data spaces.

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A network model of public transit systems for CMPLXSYS 530

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Functions I use frequently and don't want to rewrite

Language:Jupyter NotebookMIT010