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UCSD
- San Diego, CA
- @abbydommer
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GlycoGUI Public
A little GUI for building glycan network maps. A step in the pipeline for parametrizing glycans in Martini 3. Exports a JSON file for input into polyply.
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NAMD_to_CHARMM-GUI Public
Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)
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mixed-monolayers Public
Mixed monolayers first paper MD analysis scripts and stuff
Jupyter Notebook UpdatedSep 4, 2018 -
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Convergence Public
tutorial for beginning comp chem students in python/ MDtraj/ matplotlib plotting
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CHARMMGUI_interface Public
Interface with CHARMM-GUI for building pure and mixed monolayers for molecular dynamics simulations in GROMACS and NAMD. GROMACS set up to also exchange TIP3 for OPC4.
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LewisDots Public
an app that allows students learning chemistry to draw lewis dot structures and test them for immediate feedback. the goal is to aid them in developing chemical intuition for elements and molecular…
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chemophobia Public
Final Rails project: input "natural" food, output chemical ingredients list // still in progress!
Ruby UpdatedSep 8, 2016 -
DeckOfCards.JS Public
functions to create a deck of cards and players // OOP with JS
JavaScript UpdatedSep 7, 2016 -
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BookReviews Public
an updated version of Books (a book review app)/ written in PHP
HTML MIT License UpdatedJul 26, 2016 -
books Public
practicing getting a project on a server (this project still has some bugs)
HTML MIT License UpdatedJul 24, 2016 -
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MD_workflow Public
Forked from mkuiper/MD_workflowMolecular dynamics workflow directory structure