[–] DREDREG 3mo ago ↗ Just 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
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[ 0.34 ms ] story [ 14.1 ms ] threadMD-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