Jeff Yarger's repositories
CalcUS
Quantum Chemistry Web Platform
CGRtools
CGRs, molecules and reactions manipulation
CoLab_pyMOL_pySNIPs
Library of PyMOL Python snippets for Google Colab.
Computational_Chem_Py_Scripts
Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.
cookiecutter-data-science
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
docx2tex
Converts Microsoft Word docx to LaTeX
global-chem
A Chemical Knowledge Graph of What is Common in the World.
latex-css
LaTeX.css is a CSS library that makes your website look like a LaTeX document
Madelung-Equations
Computational software for solving the Madelung Equations. A project made for APM 598/MAT 494, Mathematics of Quantum Mechanics, at ASU
MOLsimplify
molSimplify code
mrsimulator
A fast solid-state NMR spectrum simulation and analysis library.
nmrglue
A module for working with NMR data in Python
nmrium
React component to display and process nuclear magnetic resonance (NMR) spectra.
nmrium-react-wrapper
Wrapping NMRium
nmrplot
A python tool for plotting NMR spectra
nmrpy
A Python module for processing NMR spectra.
noVNC
VNC client web application
OpenVnmrJ
OpenVnmrJ. Build tools and instructions are at ovjTools.
orca_ir
Plots IR spectra from from ORCA output files
orca_uv
Plots absorption spectra from from ORCA output files
pandoc-journal-latex-to-docx
How to convert LaTeX to DOCX (and everything else)
pyDSC
Set of python scripts for the correction of DSC data.
python-acoustics
A Python library aimed at acousticians.
python-sounddevice
:sound: Play and Record Sound with Python :snake:
rustdesk
Open source virtual / remote desktop infrastructure for everyone! The open source TeamViewer alternative. Display and control your PC and Android devices from anywhere at anytime.
rustdesk-server
RustDesk Server Program
SEQCROW
Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
tlaplus
TLC is an explicit state model checker for specifications written in TLA+. The TLA+Toolbox is an IDE for TLA+.
whitenoise
generating white noise or rain sounds using python