admislf / MINN-DTI
Effective drug-target interaction prediction with mutual interaction neural network
☆32Updated 2 years ago
Alternatives and similar repositories for MINN-DTI:
Users that are interested in MINN-DTI are comparing it to the libraries listed below
- ☆10Updated last year
- ☆46Updated 5 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆24Updated 11 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆29Updated 10 months ago
- MGA☆42Updated 4 years ago
- ☆32Updated 8 months ago
- ☆15Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆41Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- ☆24Updated 2 years ago
- ☆28Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆30Updated last year
- ☆54Updated last year
- ☆22Updated last year
- DeepCDA☆13Updated 4 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆24Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆45Updated 3 months ago
- ☆15Updated last month
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆19Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆29Updated 9 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆39Updated last year
- ☆39Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆18Updated 2 months ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆24Updated 2 months ago
- ☆12Updated 3 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆30Updated last year