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3d-prot-dta

3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs

aa-score-tool

a tool for protein-ligand binding affinity prediction

adagrmfc

Graph regularized non-negative matrix factorization with prior knowledge consistency constraint for drug-target interaction prediction

aefs

DTI prediction method

affinity2vec

Drug-target binding affinity prediction using representation learning, graph mining, and machine learning

affinity_prediction_bgnn

BGNN model for blind affinity prediction

amgdti

ammvf

a code for DTI prediction

apbscore

Atom Pair Based scoring function

arkdta

attentiondta_tcbb

AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism

attentionmgt-dta

attentionsitedti

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"

autosf

Y. Zhang, Q. Yao, J. Kwok. Bilinear Scoring Function Search for Knowledge Graph Learning. TPAMI 2022

bacpi

A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.

bap

Binding Affinity Prediction for Protein-ligand Complexes

bapa

BAPA preprocessing scripts and model

bcm-dti

bcpaff

Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning

bicomp-dta

bioprotis

bridgedpi

BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions

brwcp

c2p2

cafe_plugin

a VMD plugin for binding affinity prediction using end-point free energy methods

capbm-dti

CapBM-DTI: A novel capsule network-based method integrating BERT and MPNN for prediction of drug-target interaction

ccl-dti

chemboost

coadti

Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2

colddta