LiZhang30 / GPCNDTALinks
GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
☆17Updated 7 months ago
Alternatives and similar repositories for GPCNDTA
Users that are interested in GPCNDTA are comparing it to the libraries listed below
Sorting:
- ☆38Updated last year
- K-BERT for molecular property prediction.☆30Updated 3 years ago
- ☆22Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- ☆53Updated last year
- MGA☆44Updated 4 years ago
- ☆67Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆139Updated last month
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated 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…☆71Updated 2 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆43Updated 8 months ago
- ☆10Updated 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
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆114Updated last year
- ☆10Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆26Updated 2 years ago
- a multi-property optimization method.☆32Updated 8 months ago
- 3D_Molecular_Generation☆99Updated 9 months ago
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆12Updated 9 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆15Updated 10 months ago
- structure-based explanation methods☆28Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆26Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆45Updated 2 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆188Updated 6 months ago
- ☆14Updated 8 months ago
- Papers about Structure-based Drug Design (SBDD)☆120Updated 8 months ago