hongliangduan / Multi_CycGT
Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides
☆13Updated 4 months ago
Alternatives and similar repositories for Multi_CycGT
Users that are interested in Multi_CycGT are comparing it to the libraries listed below
Sorting:
- ☆58Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆39Updated this week
- ☆33Updated last month
- ☆21Updated 11 months ago
- ☆17Updated 4 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated last week
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆66Updated last year
- MGA☆42Updated 4 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆54Updated last year
- ☆27Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆100Updated 2 years ago
- ☆28Updated last month
- Retrosynthetic prediction with Atom Environments☆37Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆60Updated 10 months ago
- ☆74Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆57Updated 6 months ago
- A universal structure-directed lead optimization☆40Updated last month
- ☆34Updated 11 months ago
- ☆16Updated 2 years ago
- ☆18Updated 2 years ago
- ☆32Updated last year
- ☆37Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆50Updated last month
- ☆18Updated 7 months ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38Updated last year