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Projects in Awesome Lists by laserkelvin

A curated list of projects in awesome lists by laserkelvin .

https://github.com/laserkelvin/pyspectools

Routines for rotational spectroscopy analysis written in Python 3

astrochemistry jupyter-notebook microwave-spectroscopy quantum-chemistry spcat spectroscopy spfit

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pygopher

A Python wrapper for te spectroscopy program PGopher

Last synced: 22 Dec 2024

https://github.com/laserkelvin/umda

Unsupervised molecule discovery in astrophysics project

Last synced: 22 Dec 2024

https://github.com/laserkelvin/learning-neural-networks

A repository of notebooks for teaching neural networks

Last synced: 22 Dec 2024

https://github.com/laserkelvin/understanding-ml

Repository of notebooks for understanding how machine learning methods work

Last synced: 22 Dec 2024

https://github.com/laserkelvin/rotconml

Probabilistic deep learning models for molecule identification using PyTorch

Last synced: 22 Dec 2024

https://github.com/laserkelvin/cfour-viewer

A set of Python routines for the electronic structure suite CFOUR

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pymoments

Python library for calculating molecular rotational constants from standard input formats

Last synced: 22 Dec 2024

https://github.com/laserkelvin/cheminformatics-tutorial

A set of notebooks for learning how to do chemistry in a Jupyter notebook

Last synced: 22 Dec 2024

https://github.com/laserkelvin/spectroscopy-learner

An open-sourced second-brain for molecular spectroscopy

Last synced: 22 Dec 2024

https://github.com/laserkelvin/astrochem_embedding

Language models for astrochemistry

Last synced: 22 Dec 2024

https://github.com/laserkelvin/astrochem_ml

Cheminformatics tools for astrochemistry

Last synced: 22 Dec 2024

https://github.com/laserkelvin/spectools.jl

Library for performing spectroscopic analysis in Julia

Last synced: 22 Dec 2024

https://github.com/laserkelvin/astrochemdis2021

Talk for Astrochemistry Discussions 2021 on unknown unknown's

Last synced: 22 Dec 2024

https://github.com/laserkelvin/tufte-md2latex

A template for converting Markdown into a Tufte-styled LaTeX document

Last synced: 22 Dec 2024

https://github.com/laserkelvin/trajectoryanalysis

Routines for analysing molecular dynamics trajectories

Last synced: 22 Dec 2024

https://github.com/laserkelvin/molsim-mcmc-template

File structure for reproducible molsim MCMC

Last synced: 22 Dec 2024

https://github.com/laserkelvin/labspecdb

Spectroscopy database

Last synced: 22 Dec 2024

https://github.com/laserkelvin/ftspecviewer

A FTMW spectrum viewer written in Python and PyQt5

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pickett

A version controlled repository for SPFIT/SPCAT

Last synced: 22 Dec 2024

https://github.com/laserkelvin/astrochymist

A python script that will parse Astrochymist

astrochemistry astronomy parsing scraping-websites

Last synced: 22 Dec 2024

https://github.com/laserkelvin/moleculelookup

A quick Python script for searching a DataFrame for rotational constants.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/fastroutines

When certain routines are better written in Cython for faster processing.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/ipython-notebook-tools

Some routines for IPython notebook

Last synced: 22 Dec 2024

https://github.com/laserkelvin/isms-2022-specgraph

Slide deck for ISMS 2022

Last synced: 22 Dec 2024

https://github.com/laserkelvin/i3-worktheme

dotfiles for work

Last synced: 22 Dec 2024

https://github.com/laserkelvin/gbt-proposal-template

Template for Green Bank Telescope observing proposal

Last synced: 22 Dec 2024

https://github.com/laserkelvin/deep-ion-image

Deep learning applied to ion image analysis

Last synced: 22 Dec 2024

https://github.com/laserkelvin/neovim-dotfiles

Keeping dotfiles for neovim consistent across platforms

Last synced: 22 Dec 2024

https://github.com/laserkelvin/actions-test

Testing github actions workflows on files

Last synced: 22 Dec 2024

https://github.com/laserkelvin/lin2latex

Command line script to convert lin files to LaTeX tables

Last synced: 22 Dec 2024

https://github.com/laserkelvin/laserkelvin

READ#ME#

Last synced: 22 Dec 2024

https://github.com/laserkelvin/nisms-2020

Materials for the Not ISMS 2020

Last synced: 22 Dec 2024

https://github.com/laserkelvin/molecule-tools

Some routines that I wrote because I couldn't get PyBel and OpenBabel linked with anaconda python properly.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pyrecipes

A collection of functions and recipes for figure making in Python

Last synced: 22 Dec 2024

https://github.com/laserkelvin/isms-2021

Collection of talks I gave at ISMS 2021

Last synced: 22 Dec 2024

https://github.com/laserkelvin/normalizing-flows-slides

A short interactive review for normalizing flows

Last synced: 22 Dec 2024

https://github.com/laserkelvin/slowfouriertransform

Jupyter notebooks for the website

Last synced: 22 Dec 2024

https://github.com/laserkelvin/scipy-2020

Slide deck for my talk at SciPy 2020 on Python and deep learning workflows for spectroscopy

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pycfour

Python scripts to automate and manage calculations with CFOUR

Last synced: 22 Dec 2024

https://github.com/laserkelvin/arxiv-curie

Automated, machine-learning driven scientific paper summarizer written in Python

Last synced: 22 Dec 2024

https://github.com/laserkelvin/rmg

Random molecule generator written in Python 3. Uses a rudimentary graph representation of molecules.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/sfb-koln-2020

Talk for AstroML workshop

Last synced: 22 Dec 2024

https://github.com/laserkelvin/reveal-template

Template repository for reveal.js presentations

Last synced: 22 Dec 2024

https://github.com/laserkelvin/repro-repo

Template repository for reproducible research projects

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pandoc-abstract-book

A pandoc template for making quick and easy conference abstract books

Last synced: 22 Dec 2024

https://github.com/laserkelvin/qtftm_docker

Docker image for QtFTM

Last synced: 22 Dec 2024

https://github.com/laserkelvin/reproducible-research

A short talk and workshop I devised to introduce topics on reproducible research with Jupyter notebooks.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/pythonexercises

Some short excercises in Python written with Jupyter notebooks.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/reveal-md-template

Cookie cutter for `reveal-md` presentations

Last synced: 22 Dec 2024

https://github.com/laserkelvin/python-tutorials

A set of tutorials designed to introduce Python to physical chemists.

Last synced: 22 Dec 2024

https://github.com/laserkelvin/qchem-pytools

Python routines to turn quantum/physical chemistry into something meaningful

Last synced: 22 Dec 2024

https://github.com/laserkelvin/python-ion-imaging

Routines that help with Ion Imaging data analysis

Last synced: 22 Dec 2024

https://github.com/laserkelvin/ml-reviews

A Zettelkasten for machine learning literature

Last synced: 22 Dec 2024

https://github.com/laserkelvin/mit-chem-weekend-2021

Visiting weekend poster deck for McGuire lab

Last synced: 22 Dec 2024

https://github.com/laserkelvin/git-tutorial

My diary lol

Last synced: 22 Dec 2024

https://github.com/laserkelvin/g16-isomers

Simple cookiecutter template for automating a batch of Gaussian '16 calculations

Last synced: 22 Dec 2024

https://github.com/laserkelvin/neurips24-ai4mat-slides

revealjs slide deck for deconstructing equivariance spotlight

Last synced: 22 Dec 2024

https://github.com/laserkelvin/research-paper-summaries

Static pages for research paper summaries

Last synced: 22 Dec 2024

https://github.com/laserkelvin/unsw-mit-talk-2021

Reveal.js deck for swan song

Last synced: 22 Dec 2024

https://github.com/laserkelvin/typeset-collection

Container and template workflow for typesetting tasks

Last synced: 22 Dec 2024

https://github.com/laserkelvin/technical-writing

A slide deck for writing, inspired by MIT LEAPS

Last synced: 22 Dec 2024

https://github.com/laserkelvin/julianenquiry

Answering random questions with data and Julia

Last synced: 22 Dec 2024