fearlessroad

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)

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.

Convergence

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

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.

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.

MD_workflow

Molecular dynamics workflow directory structure

abigaildommer

personal website (Rails) // still under construction

Beltexam

BookReviews

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

books

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

chemophobia

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

DeckOfCards.JS

functions to create a deck of cards and players // OOP with JS

fearlessroad.github.io

personal website

eCommerce

LAMP Stack group project

Email_Validation

email validation assignment

Friends

group-chat

group chat application with sockets / javascript

lending

very simple lending app Ruby/Rails

mamp_demo_one

mixed-lipase

mixed monolayers / bilayers with lipase sims and analysis

mixed-monolayers

Mixed monolayers first paper MD analysis scripts and stuff

Pacman

Pacman with JS

QuotingDojo

registration

practicing getting rails project up to AWS

second_project

secrets

Rails project with complete TDD tests and functionality

theWall

Wall