Rdk0

Pinned Repositories

psikit
psi4+RDKit
Language:Python95 7 4019
PhaKinPro
Pharmacokinetic property prediction with QSAR modeling
Language:CSS5 1 32
cnsmpo
calculate CNS MPO
Language:Python00
converters
converts IC50 etc to deltaG and calculates parameters such as ligand efficiency
Language:Go00
dotfiles
My config/dotfiles for tmux, nvim, i3, bla bla bla, nerd things.
Language:Lua00
simple_nmr
python based on nmrglue
Language:Python00

Rdk0's Repositories

Rdk0/cnsmpo
calculate CNS MPO
Language:Python00
Rdk0/converters
converts IC50 etc to deltaG and calculates parameters such as ligand efficiency
Language:Go00
Rdk0/dotfiles
My config/dotfiles for tmux, nvim, i3, bla bla bla, nerd things.
Language:Lua00
Rdk0/simple_nmr
python based on nmrglue
Language:Python00