tiantz17 / PocketAnchorLinks
Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
☆34Updated last year
Alternatives and similar repositories for PocketAnchor
Users that are interested in PocketAnchor are comparing it to the libraries listed below
Sorting:
- Diffusion model based protein-ligand flexible docking method☆106Updated 8 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆50Updated last month
- ☆57Updated last year
- my own studied materials and scripts☆51Updated 3 months ago
- ☆62Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆26Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated last year
- ☆40Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆59Updated last month
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated 9 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆92Updated 3 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆14Updated 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, …☆59Updated 2 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆63Updated 3 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆24Updated 2 months ago
- ☆75Updated last year
- ☆39Updated 3 months ago
- ☆44Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- ☆32Updated 2 weeks ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆43Updated last year
- ☆91Updated 9 months ago