plestrange Goto Github PK
Name: Patrick Lestrange
Type: User
Bio: Data Scientist
Patrick Lestrange's Projects
chronusq_public
The public repository of the Chronus Quantum (ChronusQ) Software Package
dendiff
For plotting the time dependent density difference from a RT-TDDFT calculation
dotfiles
Contains configuration files used on all my machines.
gaussian_matrix_parser
Extracts matrices from Gaussian log files and writes them to a text file.
gefilter-fish
Topic Modeling for Amazon Reviews
gun-votes
A Project to predict how a senator will vote on gun control legislation.
kaggle-competitions
Repository for Kaggle competition notebooks
ml_utils
Machine Learning Utilities
parse-gaussian
Some scripts to process Gaussian input/output files.
phf-simdensity
A script to compare PHF rotated densities
plestran.github.io
Flash Facts Blog: Data Science and Data Visualization
py_chem
Prototyping software for quantum chemistry method development
python-ecology-lesson
:page_with_curl: Data Carpentry Python lessons on ecology.
python-sghf
Test python implementation of spin-projected GHF
resume-template
Modified version of the Awesome-CV template for my resume
tdci-polarizability
Script to calculate polarizability from TD-CI calculation in Gaussian
two-component_cubes
Python script to prepare complex, two-component Gaussian cube files to be read by GaussView or Pymol, etc.
uvvis-plot
Script to plot broadened UV-vis absorption spectrum from Gaussian
vcd-compare
To compare calculated VCD spectra with experimental data to find the best shift and scaling parameters.
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