xichengeva / DeepGlycanSiteLinks
☆36Updated last year
Alternatives and similar repositories for DeepGlycanSite
Users that are interested in DeepGlycanSite are comparing it to the libraries listed below
Sorting:
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆101Updated 2 months ago
- Diffusion model based protein-ligand flexible docking method☆114Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆88Updated 2 months ago
- ☆77Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆82Updated 3 weeks ago
- ☆38Updated 3 months ago
- ☆59Updated 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, …☆63Updated 4 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆36Updated 3 months ago
- ☆69Updated last year
- ☆27Updated last year
- A universal structure-directed lead optimization☆56Updated 7 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆25Updated 5 months ago
- ☆13Updated last month
- ☆65Updated last week
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆76Updated 8 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆151Updated 2 weeks ago
- ☆33Updated last year
- ☆42Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆66Updated 3 months ago
- ☆27Updated last year
- ☆51Updated 7 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆78Updated 3 months ago
- 3D_Molecular_Generation☆100Updated 11 months ago