zjujdj / IGN
InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
☆30Updated 3 years ago
Alternatives and similar repositories for IGN:
Users that are interested in IGN are comparing it to the libraries listed below
- ☆28Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆31Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆31Updated 2 years ago
- ☆25Updated 9 months ago
- ☆23Updated 8 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆39Updated last year
- ☆38Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆51Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆35Updated 3 months ago
- ☆56Updated 11 months ago
- ☆32Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated last month
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Implementation of MolSearch paper☆22Updated last year
- ☆22Updated 2 years ago
- ☆26Updated 10 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆22Updated 3 months ago
- ☆29Updated 10 months ago
- ☆29Updated 8 months ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆31Updated 3 months ago
- ☆21Updated 4 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last week
- ☆16Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- ☆15Updated 2 years ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆43Updated last year
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆17Updated last month