xiaoyangqu

ECIFGraph

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

HydraMapSF

AMOEBA_CP

This is a strategy to predict protein-ligand binding affinity

cv

deltaVinaXGB

This is a machine-learning based protein-ligand scoring function.

GRIT

This is an official implementation for "GRIT: Graph Inductive Biases in Transformers without Message Passing".

xiaoyangqu/GRIT

This is an official implementation for "GRIT: Graph Inductive Biases in Transformers without Message Passing".

xiaoyangqu/cv

xiaoyangqu/ECIFGraph

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

xiaoyangqu/HydraMapSF

xiaoyangqu/AMOEBA_CP

This is a strategy to predict protein-ligand binding affinity

xiaoyangqu/deltaVinaXGB

This is a machine-learning based protein-ligand scoring function.