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PySpecTools
Routines for rotational spectroscopy analysis written in Python 3PyGOPHER
A Python wrapper for te spectroscopy program PGopherlearning-neural-networks
A repository of notebooks for teaching neural networksumda
Unsupervised molecule discovery in astrophysics projectunderstanding-ml
Repository of notebooks for understanding how machine learning methods workCFOUR-viewer
A set of Python routines for the electronic structure suite CFOURPyMoments
Python library for calculating molecular rotational constants from standard input formatsrotconML
Probabilistic deep learning models for molecule identification using PyTorchcheminformatics-tutorial
A set of notebooks for learning how to do chemistry in a Jupyter notebookastrochem_embedding
Language models for astrochemistryspectroscopy-learner
An open-sourced second-brain for molecular spectroscopySpecTools.jl
Library for performing spectroscopic analysis in Juliaastrochem_ml
Cheminformatics tools for astrochemistryyaml-resume
A one-stop shop for academic/industry resume and CV formatting using YAML and Jinja2FTSpecViewer
A FTMW spectrum viewer written in Python and PyQt5molsim-mcmc-template
File structure for reproducible molsim MCMCTrajectoryAnalysis
Routines for analysing molecular dynamics trajectoriesPickett
A version controlled repository for SPFIT/SPCATtufte-md2latex
A template for converting Markdown into a Tufte-styled LaTeX documentAstrochymist
A python script that will parse AstrochymistSpectraViewer
A Dash application for viewing and FFT processing legacy millimeter-wave data.Spectron3000
Dash application for viewing astronomical spectraLabSpecDB
Spectroscopy databaseMoleculeLookup
A quick Python script for searching a DataFrame for rotational constants.Love Open Source and this site? Check out how you can help us