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Abigail's Projects

bookreviews icon bookreviews

an updated version of Books (a book review app)/ written in PHP

books icon books

practicing getting a project on a server (this project still has some bugs)

charmmgui_interface icon charmmgui_interface

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.

chemophobia icon chemophobia

Final Rails project: input "natural" food, output chemical ingredients list // still in progress!

convergence icon convergence

tutorial for beginning comp chem students in python/ MDtraj/ matplotlib plotting

glycogui icon glycogui

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.

group-chat icon group-chat

group chat application with sockets / javascript

lewisdots icon lewisdots

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 geometries and connectivities.

mixed-lipase icon mixed-lipase

mixed monolayers / bilayers with lipase sims and analysis

namd_to_charmm-gui icon namd_to_charmm-gui

Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)

secrets icon secrets

Rails project with complete TDD tests and functionality

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