guaguabujianle / ML-DTILinks
☆12Updated 4 years ago
Alternatives and similar repositories for ML-DTI
Users that are interested in ML-DTI are comparing it to the libraries listed below
Sorting:
- ☆10Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆53Updated last year
- MGA☆44Updated 4 years ago
- ☆47Updated last year
- K-BERT for molecular property prediction.☆30Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- ☆15Updated 4 years ago
- ☆26Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆45Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆38Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- 3D_Molecular_Generation☆99Updated 9 months ago
- DeepCDA☆15Updated 5 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆44Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆122Updated last year
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 4 years ago
- ☆19Updated 8 months ago
- structure-based explanation methods☆27Updated last year
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- ☆31Updated 3 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- my own studied materials and scripts☆52Updated 4 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year