tiantz17 / PocketAnchor
Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
☆32Updated last year
Alternatives and similar repositories for PocketAnchor:
Users that are interested in PocketAnchor are comparing it to the libraries listed below
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated last week
- ☆58Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆10Updated 9 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- ☆32Updated 2 years ago
- ☆35Updated last year
- Diffusion model based protein-ligand flexible docking method☆104Updated 5 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆57Updated 5 months ago
- ☆38Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- BioLiP2 database curation and web interface☆24Updated last month
- ☆23Updated 11 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Official repository of GENzyme☆46Updated 4 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆30Updated 3 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 11 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 3 months ago
- ☆21Updated 3 years ago
- ☆49Updated 3 weeks ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆45Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆41Updated last year
- ☆52Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆48Updated 6 months ago
- ☆71Updated last year
- Rosetta Funclib☆20Updated 4 years ago
- ☆23Updated 6 months ago
- A universal structure-directed lead optimization☆36Updated 3 weeks ago