Nicolai Ree's repositories
MILC_IT_UCPH
Machines Instructed in Learning Chemistry (MILC) IT at the University of Copenhagen
colabtools
Python libraries for Google Colaboratory
Badges4-README.md-Profile
:octocat: Improve your README.md profile with these amazing badges.
CP2K_Editor
CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.
gt4sd-core
GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.
HeckQM
A QM-based workflow for determining the regioselectivity of palladium-catalyzed Heck reactions.
RegioML
RegioML predicts the regioselectivity of electrophilic aromatic substitution reactions using machine learning.
RegioSQM20
RegioSQM20 predicts the regioselectivity of electrophilic aromatic substitution reactions in heteroaromatic systems.
regression-transformer
Regression Transformer code