/tools/ECIFGraph

ECIFGraph

xiaoyangqu/ECIFGraph

model tool property-prediction docking virtual-screening protein

12 stars1 forksPythonAdded February 8, 2026

summary

ECIFGraph is a tool designed to predict protein-ligand binding affinities by utilizing a water network-augmented two-state model. It integrates deep learning techniques to enhance the accuracy of scoring functions in molecular docking and virtual screening applications.

description

Water Network-Augmented Two-State model for Protein−Ligand Binding Affinity Prediction

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