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erjank's Projects

cmeutils icon cmeutils

Useful functions by and for the CME lab

containers icon containers

Containerized software stacks for the Computational Materials Science Lab

engcomp icon engcomp

A set of learning modules in computing for engineering undergraduate students.

gixstapose icon gixstapose

An interactive structure viewer alongside its simulated diffraction pattern

handbook icon handbook

Community Documentation for the Carpentries

hoomd-organics icon hoomd-organics

Simple systems used for trying out some polymer simulation methods.

hoomd-tf icon hoomd-tf

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

mbuild icon mbuild

A hierarchical, component based molecule builder

p1-start icon p1-start

Starter code for Project 1 in Spring 2020.

pandocfilters icon pandocfilters

A python module for writing pandoc filters, with a collection of examples

planets icon planets

a demo repository for the c3/inl/CAES workshop

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