guaguabujianle / MGraphDTALinks
☆52Updated 10 months ago
Alternatives and similar repositories for MGraphDTA
Users that are interested in MGraphDTA are comparing it to the libraries listed below
Sorting:
- ☆37Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆25Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆114Updated 9 months ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆68Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆10Updated last year
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆102Updated 4 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆111Updated last year
- MGA☆43Updated 4 years ago
- 小白入门DTA方向，GraphDTA作为经典的DTA模型，对于python基础不好，深度学习代码实操不强者，本github将代码细致的进行注释阐述，旨在记录学习过程，帮助更多入门者尽快入门！☆22Updated 2 years ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- ☆133Updated 8 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆68Updated last year
- ☆67Updated 2 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆44Updated last year
- ☆45Updated last year
- ☆47Updated last year
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆43Updated 4 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆121Updated 11 months ago
- structure-based explanation methods☆26Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆144Updated 3 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month