4 ms·
Just open-sourced the Kretski Binding Score. MD-free molecular stability predictor based on W = Q·D - T pip install coming soon. No GPU needed Results in se
by DREDREG 7mo ago
Just open-sourced the Kretski Binding Score.
MD-free molecular stability predictor based on W = Q·D - T
pip install coming soon.
No GPU needed
Results in seconds
Validated on 19 COX-2 inhibitors
Fast first filter before expensive MD