LiZhang30 / GPCNDTA
GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
☆17Updated last month
Alternatives and similar repositories for GPCNDTA:
Users that are interested in GPCNDTA are comparing it to the libraries listed below
- ☆32Updated 8 months ago
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆15Updated 8 months ago
- ☆59Updated last year
- ☆46Updated 5 months ago
- ☆22Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆59Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆65Updated 9 months 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!☆18Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆19Updated 2 years ago
- structure-based explanation methods☆22Updated 9 months ago
- MGA☆42Updated 4 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆43Updated last year
- 3D_Molecular_Generation☆84Updated 2 months ago
- ☆10Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆30Updated last year
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆35Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆45Updated 3 months ago
- ☆19Updated 5 months ago
- Papers about Structure-based Drug Design (SBDD)☆93Updated 2 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆54Updated last year
- ☆39Updated last year
- ☆8Updated 11 months ago
- Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides☆12Updated last month
- a multi-property optimization method.☆29Updated 2 months ago
- ☆32Updated 9 months ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆38Updated 2 months ago