Discover @charnley Open Source projects

Jimmy C. Kromann (@charnley)

charnley

Stars
433
Global Rank 65,548 (Top 3 %)
Followers 137
Following 13
Registered over 12 years ago
Most used languages

Python
64.3 %

Shell
21.4 %

Jupyter Notebook
7.1 %

CSS
7.1 %
Location 🇨🇭 Switzerland
Country Total Rank 764
Country Ranking

Python
132

Shell
385

CSS
497

Jupyter Notebook
791

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

no-setup

Script for setup of Ubuntu LTS, based on tile WM (i3) and the ubuntu minimal CD

dotfiles.x

Dotfiles for desktop enviroment (mostly i3wm)

qml-tutorial-forces

Tutorial for training on atomistic forces and running molecular dynamics

Jupyter Notebook

chemhelp

Interface between Quantum Chemistry programs and RDKit

qml-conformers

Predict conformational energies of a SDF/XYZ file using QML

convert-in-terminal

Simple convert and math script, for when you don't want to open a browser

web-user-interface

A small CSS (and JS) frame for easy web-application interfaces.

dotfiles

My enviromental dotfiles

doi2bib

Convert DOI URI to Latex BIB

protonation-learning

blog

Content from computerandchemistry.blogspot.com

matplotlib-views

Views for various common matplotlib plots

optimize_gamess_parameters

Optimizing some GAMESS parameters

qml-md

QML interface for doing MD in VR