yazdanimehdi / AttentionSiteDTILinks
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"
☆44Updated last year
Alternatives and similar repositories for AttentionSiteDTI
Users that are interested in AttentionSiteDTI are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆68Updated last year
- ☆52Updated 10 months ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆53Updated 4 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆18Updated 2 years ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆114Updated 10 months ago
- ☆52Updated 11 months ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆124Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆20Updated 6 months ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆45Updated 5 months ago
- MGA☆43Updated 4 years ago
- ☆38Updated last year
- ☆45Updated last year
- a method for CPI and DTA prediction☆11Updated 3 years ago
- ☆10Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago
- ☆25Updated last year
- ☆12Updated 4 years ago
- ☆96Updated last month
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆32Updated last year
- Graph Network for protein-protein interface☆120Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated 2 years ago