binding-affinity
CPIExtract is a software package to collect and harmonize small molecule and protein interactions with support for stereoisomer matching.
A deep learning model for protein-ligand binding affinity prediction
Create customized voxel representations of protein-ligand complexes using GPU.
Ensemble Learning Approach for Stability Prediction of Interface and Core mutations (ELASPIC).
Comprehensive ensembling of protein-ligand structure and affinity prediction methods (CASP16)
