[AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design
-
Updated
Mar 31, 2024 - Python
[AAAI 2024] Binding-Adaptive Diffusion Models for Structure-Based Drug Design
HIV1-LogRex implements the logistic regression model for HIV-1 protease octapeptide cleavage site prediction and varied algorithms for octapeptide descriptors (amino acid binary profile (AABP), physicochemical properties and bond composition) calculations for various machine/deep learning applications in bioinformatics.
solvent thermodynamics in the binding site
Add a description, image, and links to the sbdd topic page so that developers can more easily learn about it.
To associate your repository with the sbdd topic, visit your repo's landing page and select "manage topics."