Pinned Repositories
ASU-Dissertation-Template
LaTeX Template for Typesetting Arizona State University Dissertations and Theses
audacity.py
A Python tool to extract .wav files from Audacity .aup files
audio-tutorials
Ultrasound based time delay spectrometry (TDS) tutorials and learning resources
autoGAMESS_Raman
This is a python module for automating Raman calculations using GAMESS(us).
Bitcoin
Code used for the yearly calculations of CO2e from Bitcoin mining
blender-chemicals
Draws chemicals in Blender using common input formats (smiles, molfiles, cif files, etc.)
Blender-Molecular-Script
This is my molecular python script for blender. A bit similar to Lagoa Multiphysic in Softimage.
litecoin
Litecoin source tree
SAXS-WAXS-Matlab-Code
Development of a Matlab program for SAXS & WAXS Data Processing and Analysis
jyarger's Repositories
jyarger/ASU-Dissertation-Template
LaTeX Template for Typesetting Arizona State University Dissertations and Theses
jyarger/audio-tutorials
Ultrasound based time delay spectrometry (TDS) tutorials and learning resources
jyarger/autoGAMESS_Raman
This is a python module for automating Raman calculations using GAMESS(us).
jyarger/CASCADE
CAlculation of NMR using Deep LEarning
jyarger/CGRtools
CGRs, molecules and reactions manipulation
jyarger/cifpal
Tables with selected bond lengths and angles from CIF (Crystallographic Information File)
jyarger/COVID-19
2019 novel coronavirus repository
jyarger/fabio
I/O library for images produced by 2D X-ray detector
jyarger/LearnEntropy
This code estimates the entropy production rate by machine learning of trajectory data. The method is based on the thermodynamic uncertainty relation.
jyarger/LiquidDiffract
LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
jyarger/miniforge
A conda-forge distribution.
jyarger/Molecular-Conformer-Search
A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
jyarger/molecule_search_nmr
Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule
jyarger/nmr-star-dictionary
The official NMR-STAR dictionary in use by the BMRB.
jyarger/NMR-TS
Molecule identifier from NMR spectrum using de novo molecule generator
jyarger/nmrglue
A module for working with NMR data in Python
jyarger/nmrium-docs
jyarger/nmrplot
A python tool for plotting NMR spectra
jyarger/nmrpy
A Python module for processing NMR spectra.
jyarger/NMRPyStar
A Python library for parsing NMR-Star files
jyarger/orca_uv
Plots absorption spectra from from ORCA output files
jyarger/physical-chemistry
A series of Jupyter notebooks developed to help students solve physical-chemistry problems.
jyarger/pyGAMESS
Python GAMESS wrapper
jyarger/python-project-blueprint
Blueprint/Boilerplate For Python Projects
jyarger/RAMAN-Deconvolution
Deconvolution of Raman spectra
jyarger/raman_baseline_correction
Baseline correction, smoothing, processing and plotting of Raman spectra
jyarger/s-tui
Terminal-based CPU stress and monitoring utility
jyarger/SciAnalysis
SciAnalysis is a set of Python scripts for batch processing of image data, including x-ray scattering detector images.
jyarger/tufte_algorithms_book
A template for textbooks in the same style as Algorithms for Optimization
jyarger/XTEC
xray clustering