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:
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆95Updated last week
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆58Updated last year
- ☆42Updated last year
- Diffusion model based protein-ligand flexible docking method☆110Updated 9 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆68Updated 2 weeks ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆68Updated 2 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- ☆35Updated last month
- ☆77Updated last year
- ☆68Updated last year
- ☆50Updated last month
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆15Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆70Updated 3 weeks ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆32Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆46Updated 7 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆28Updated last year
- ☆45Updated 5 months ago
- ☆50Updated last month
- my own studied materials and scripts☆52Updated 4 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, …☆61Updated last month
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated last month
- ☆25Updated 10 months ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated 11 months ago
- 3D_Molecular_Generation☆99Updated 9 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆43Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year