tiantz17 / PocketAnchorLinks
Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
☆34Updated 2 years ago
Alternatives and similar repositories for PocketAnchor
Users that are interested in PocketAnchor are comparing it to the libraries listed below
Sorting:
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆81Updated 2 years ago
- ☆61Updated 2 years ago
- ☆32Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years 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
- ☆37Updated 2 years ago
- ☆41Updated last month
- ☆42Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆49Updated 2 months ago
- ☆36Updated 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 6 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Updated last year
- ☆74Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 5 months ago
- ☆41Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆80Updated 5 months ago
- ☆57Updated 9 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆33Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- my own studied materials and scripts☆58Updated last week
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆17Updated 4 months ago
- A universal structure-directed lead optimization☆63Updated 9 months ago
- ☆27Updated last year
- 3D_Molecular_Generation☆103Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago