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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 PyTorchastrochemdis2021
Talk for Astrochemistry Discussions 2021 on unknown unknown'scheminformatics-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 astrochemistryFTSpecViewer
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