Open-Sourced the Kretski Binding Score(github.com)1 points·by DREDREG·4 miesiące temu·1 commentsgithub.comOpen-Sourced the Kretski Binding Scorehttps://github.com/Kretski/kretski-score1 commentsPost comment[–]DREDREG·4 miesiące temureplyJust open-sourced the Kretski Binding Score.MD-free molecular stability predictor based on W = Q·D - Tpip install coming soon.No GPU needed Results in seconds Validated on 19 COX-2 inhibitors Fast first filter before expensive MD
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