JU-HuaY / MFR
☆10Updated last year
Related projects ⓘ
Alternatives and complementary repositories for MFR
- Effective drug-target interaction prediction with mutual interaction neural network☆30Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆43Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated 11 months ago
- Graph variational encoders for drug engineering and potentiation☆25Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- K-BERT for molecular property prediction.☆27Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆48Updated 10 months ago
- ☆43Updated 2 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆37Updated 9 months ago
- ☆24Updated 7 months ago
- MGA☆42Updated 3 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆37Updated this week
- ☆24Updated 7 months ago
- ☆48Updated 10 months ago
- ☆35Updated last year
- ☆14Updated 3 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆58Updated last year
- ☆25Updated 5 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- 3D_Molecular_Generation☆75Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆23Updated 2 years ago
- ☆12Updated 3 years ago
- DeepCDA☆12Updated 4 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆39Updated 4 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆56Updated 3 months ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆11Updated last year
- ☆60Updated 10 months ago
- Diffusion model based protein-ligand flexible docking method☆91Updated last week
- Molecule Optimization via Fragment-based Generative Models☆38Updated last year
- ☆29Updated 2 years ago