j9650 / MedusaGraph
☆29Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for MedusaGraph
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆38Updated 10 months 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
- ☆26Updated 7 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆48Updated 10 months ago
- ☆50Updated 11 months ago
- ☆32Updated last year
- ☆15Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆29Updated last month
- Graph variational encoders for drug engineering and potentiation☆26Updated last year
- ☆18Updated last year
- ☆16Updated last year
- scripts to find PBD structures for cancer driver proteins☆29Updated 8 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆22Updated 9 months ago
- ☆62Updated 10 months ago
- ☆48Updated 11 months ago
- ☆19Updated last month
- ☆23Updated 9 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated 2 weeks ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated 8 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated last year
- source code for deppHop☆33Updated 2 years ago
- ☆14Updated 3 years ago
- ☆17Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆22Updated 2 years ago
- BioLiP2 database curation and web interface☆22Updated 10 months ago
- ☆24Updated 2 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 6 months ago
- ☆16Updated 2 years ago