jiaxianyan / DeltaDockLinks
☆27Updated last year
Alternatives and similar repositories for DeltaDock
Users that are interested in DeltaDock are comparing it to the libraries listed below
Sorting:
- ☆41Updated 9 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆49Updated 3 months ago
- ☆81Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆30Updated 9 months ago
- PoseX: A Molecular Docking Benchmark☆61Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- A universal structure-directed lead optimization☆65Updated 9 months ago
- ☆58Updated 9 months ago
- ☆40Updated 7 months ago
- my own studied materials and scripts☆58Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 7 months ago
- ☆32Updated 2 years ago
- ☆61Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- ☆74Updated 2 years ago
- ☆41Updated last month
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- ☆41Updated 6 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆107Updated 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, …☆63Updated 6 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆66Updated 2 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆28Updated 3 years ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆18Updated 4 months ago