Pinned Repositories
psikit
psi4+RDKit
PhaKinPro
Pharmacokinetic property prediction with QSAR modeling
cnsmpo
calculate CNS MPO
converters
converts IC50 etc to deltaG and calculates parameters such as ligand efficiency
dotfiles
My config/dotfiles for tmux, nvim, i3, bla bla bla, nerd things.
simple_nmr
python based on nmrglue
Rdk0's Repositories
Rdk0/cnsmpo
calculate CNS MPO
Rdk0/converters
converts IC50 etc to deltaG and calculates parameters such as ligand efficiency
Rdk0/dotfiles
My config/dotfiles for tmux, nvim, i3, bla bla bla, nerd things.
Rdk0/simple_nmr
python based on nmrglue