hehh77 / NHGNN-DTA
NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction
☆15Updated last year
Related projects ⓘ
Alternatives and complementary repositories for NHGNN-DTA
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆58Updated last year
- ☆44Updated 2 months ago
- ☆56Updated last year
- 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!☆17Updated last year
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆16Updated last year
- ☆11Updated 5 months ago
- K-BERT for molecular property prediction.☆27Updated 2 years ago
- 3D_Molecular_Generation☆77Updated last year
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆41Updated 11 months ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆16Updated last year
- ☆25Updated 5 months ago
- ☆41Updated last year
- MGA☆42Updated 3 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆38Updated 3 years ago
- Graph variational encoders for drug engineering and potentiation☆26Updated last year
- ☆49Updated 10 months ago
- ☆24Updated 7 months ago
- ☆35Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆17Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated last year
- ☆29Updated last year
- ☆60Updated 10 months ago
- Papers about Structure-based Drug Design (SBDD)☆82Updated last week
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- ☆20Updated 7 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆38Updated this week
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆24Updated 9 months ago
- ☆86Updated last year
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆104Updated 5 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 9 months ago