admislf / MINN-DTILinks
Effective drug-target interaction prediction with mutual interaction neural network
☆32Updated 3 years ago
Alternatives and similar repositories for MINN-DTI
Users that are interested in MINN-DTI are comparing it to the libraries listed below
Sorting:
- ☆10Updated last year
- MGA☆43Updated 4 years ago
- ☆52Updated 10 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆15Updated 3 years ago
- ☆25Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- ☆16Updated 3 years ago
- structure-based explanation methods☆26Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- ☆62Updated last year
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆21Updated 3 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆68Updated last year
- ☆43Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆32Updated last year
- ☆18Updated 6 months ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 8 months ago
- ☆37Updated last year
- ☆28Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year