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3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs
a tool for protein-ligand binding affinity prediction
Graph regularized non-negative matrix factorization with prior knowledge consistency constraint for drug-target interaction prediction
DTI prediction method
Drug-target binding affinity prediction using representation learning, graph mining, and machine learning
BGNN model for blind affinity prediction
a code for DTI prediction
Atom Pair Based scoring function
AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism
This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and 3D Structure of Protein Binding Sites"
Y. Zhang, Q. Yao, J. Kwok. Bilinear Scoring Function Search for Knowledge Graph Learning. TPAMI 2022
A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
Binding Affinity Prediction for Protein-ligand Complexes
BAPA preprocessing scripts and model
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions
a VMD plugin for binding affinity prediction using end-point free energy methods
CapBM-DTI: A novel capsule network-based method integrating BERT and MPNN for prediction of drug-target interaction
Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2
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