nicolairee Goto Github PK
Name: Nicolai Ree
Type: User
Twitter: ReeNicolai
Nicolai Ree's Projects
auto3d_pkg
badges4-readme.md-profile
:octocat: Improve your README.md profile with these amazing badges.
colabtools
Python libraries for Google Colaboratory
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.
milc_it_ucph
Machines Instructed in Learning Chemistry (MILC) IT at the University of Copenhagen
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
smi2gcs
Generate CM5 atomic descriptors from SMILES
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