Pinned Repositories
anki-step-res
Resources for Anki and STEP studying.
cassi-bibtex
Convert journal titles in a BibTeX file to Chemical Abstracts Service Source Index (CASSI) abbreviations.
comp-chem-website
A Jekyll website for the research guides--UNIX, AMBER, Analysis, and R.
latex-templates
Templates for various projects using LaTeX
md-analysis-workflow
A Snakemake workflow for analyzing AMBER molecular dynamics simulations.
pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
research-scripts
Different run and analysis scripts as described in the research guides.
vim-cpptraj
Syntax highlighting for AMBER's cpptraj.
emleddin's Repositories
emleddin/pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
emleddin/research-scripts
Different run and analysis scripts as described in the research guides.
emleddin/comp-chem-website
A Jekyll website for the research guides--UNIX, AMBER, Analysis, and R.
emleddin/latex-templates
Templates for various projects using LaTeX
emleddin/vim-cpptraj
Syntax highlighting for AMBER's cpptraj.
emleddin/md-analysis-workflow
A Snakemake workflow for analyzing AMBER molecular dynamics simulations.
emleddin/AccessApp
Team Spoopy's repository for the 2021 oSTEM Hackathon
emleddin/LICHEM-tutorial
Tutorial for using LICHEM with TINKER and Gaussian. Files: https://drive.google.com/drive/folders/1ci6bZxZR_D1eB84fKJWpduse6TcQ3aVD?usp=sharing
emleddin/ParmEd
Parameter/topology editor and molecular simulator
emleddin/2020-06-05-files
Files for the py tutorial located at https://emleddin.github.io/2020-06-05-py-tutorial/
emleddin/2020-06-05-py-tutorial
Tutorial for OpenMM and MDAnalysis
emleddin/anki-step-res
Resources for Anki and STEP studying.
emleddin/cassi-bibtex
Convert journal titles in a BibTeX file to Chemical Abstracts Service Source Index (CASSI) abbreviations.
emleddin/2022-ACS-poster
Additional Information for my ACS poster
emleddin/bioicons
A library of free open source icons for science illustrations in biology and chemistry
emleddin/CV
A copy of my curriculum vitae that is displayed online.
emleddin/dissertation-code
Python scripts referenced in Chapter 3 of my dissertation.
emleddin/emleddin
emleddin/emleddin.github.io
Cards-style site showing different projects I've worked on.
emleddin/GEM_fit
Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.
emleddin/language-cpptraj
Atom package for syntax highlighting of AMBER's cpptraj.
emleddin/LICHEM
emleddin/python-EDA
A program ported to Python (but still slow)
emleddin/queering-reproduction
emleddin/QueersInCrisis
oSTEM 2020 Hackathon crisis resources project.
emleddin/rmarkdown-thrive-test
A test of rendering the THRIVE site with Rmarkdown.
emleddin/thrive-resource-app
A Shiny App for the THRIVE resource list
emleddin/UNT-dissertation-template
An updated version of the UNT dissertation template that fixes bookmarks and style issues.
emleddin/vsc-lang-cpptraj
cpptraj syntax highlighting for Visual Studio Code
emleddin/weight-projector
A projected trendline for weight changes based on caloric intake.