fearlessroad
Computational Chemistry Postdoc / Amaro Lab / NSF CAICE / Meta-Institute for Airborne Disease in a Changing Climate
UCSDSan Diego, CA
Pinned Repositories
abigaildommer
personal website (Rails) // still under construction
Beltexam
BookReviews
an updated version of Books (a book review app)/ written in PHP
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
fearlessroad.github.io
personal website
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
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)
fearlessroad's Repositories
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)
fearlessroad/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.
fearlessroad/Convergence
tutorial for beginning comp chem students in python/ MDtraj/ matplotlib plotting
fearlessroad/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.
fearlessroad/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.
fearlessroad/MD_workflow
Molecular dynamics workflow directory structure
fearlessroad/abigaildommer
personal website (Rails) // still under construction
fearlessroad/Beltexam
fearlessroad/BookReviews
an updated version of Books (a book review app)/ written in PHP
fearlessroad/books
practicing getting a project on a server (this project still has some bugs)
fearlessroad/chemophobia
Final Rails project: input "natural" food, output chemical ingredients list // still in progress!
fearlessroad/DeckOfCards.JS
functions to create a deck of cards and players // OOP with JS
fearlessroad/fearlessroad.github.io
personal website
fearlessroad/eCommerce
LAMP Stack group project
fearlessroad/Email_Validation
email validation assignment
fearlessroad/Friends
fearlessroad/group-chat
group chat application with sockets / javascript
fearlessroad/lending
very simple lending app Ruby/Rails
fearlessroad/mamp_demo_one
fearlessroad/mixed-lipase
mixed monolayers / bilayers with lipase sims and analysis
fearlessroad/mixed-monolayers
Mixed monolayers first paper MD analysis scripts and stuff
fearlessroad/Pacman
Pacman with JS
fearlessroad/QuotingDojo
fearlessroad/registration
practicing getting rails project up to AWS
fearlessroad/second_project
fearlessroad/secrets
Rails project with complete TDD tests and functionality
fearlessroad/theWall
fearlessroad/Wall