j9650 / MedusaGraph
☆28Updated 2 years ago
Alternatives and similar repositories for MedusaGraph:
Users that are interested in MedusaGraph 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 this week
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆16Updated 2 years ago
- ☆33Updated 5 months ago
- ☆20Updated 2 years ago
- ☆32Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆33Updated last month
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated 2 weeks ago
- ☆32Updated last year
- ☆54Updated last year
- ☆55Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆16Updated 2 years ago
- ☆24Updated 7 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated 11 months ago
- ☆37Updated 6 months ago
- ☆25Updated 10 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆33Updated 3 years ago
- ☆58Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆30Updated 3 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- ☆15Updated 3 years ago
- ☆28Updated last year