kjelljorner
Assistant Professor of Digital Chemistry at ETH Zürich. Coding mainly in Python and Fortran.
Zürich, Switzerland
Pinned Repositories
libconeangle
Library for calculating exact ligand cone angles
libdlfind
libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
morfeus
A Python package for calculating molecular features
multiwfn-mac-build
A build recipe for Multiwfn on MacOS
blog
Personal blog
geodesic-interpolate
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
old-blog
My blog
ppp-invest
kjelljorner's Repositories
kjelljorner/geodesic-interpolate
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
kjelljorner/old-blog
My blog
kjelljorner/blog
Personal blog
kjelljorner/ppp-invest
kjelljorner/blog-comments
Comments for the blog https://kjelljorner.github.io/blog/
kjelljorner/conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
kjelljorner/quarto-molstar
Shortcode to embed proteins and trajectories with Mol*
kjelljorner/rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
kjelljorner/skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.