Pinned Repositories
ACEhamiltonians.jl
CH413
Advanced Computational Chemistry module, University of Warwick
PX919
Interactive Jupyter notebooks on topics of computational chemistry
SchNet-vdW
ASE interface to perform dispersion-inclusive geometry optimizations with SchNet interatomic potentials
NQCDynamics.jl
Fast and flexible nonadiabatic molecular dynamics in Julia!
catam-julia
CATAM material in Julia
ML-CSC-tutorial
psi4numpy
Combining Psi4 and Numpy for education and development.
tufte-css
Style your webpage like Edward Tufte’s handouts.
tufte-pandoc-css
Starter files for using Pandoc Markdown with Tufte CSS
reinimaurer1's Repositories
reinimaurer1/catam-julia
CATAM material in Julia
reinimaurer1/ML-CSC-tutorial
reinimaurer1/psi4numpy
Combining Psi4 and Numpy for education and development.
reinimaurer1/tufte-css
Style your webpage like Edward Tufte’s handouts.
reinimaurer1/tufte-pandoc-css
Starter files for using Pandoc Markdown with Tufte CSS