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