tiantz17 / PocketAnchorLinks
Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
☆33Updated last year
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.☆53Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆45Updated 3 weeks ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- ☆41Updated 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 7 months ago
- ☆40Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆45Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Official repository of GENzyme☆51Updated 6 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- ☆25Updated last year
- ☆60Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆13Updated 10 months ago
- ☆74Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Rosetta Funclib☆20Updated 5 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆24Updated 7 months ago
- ☆55Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆48Updated 2 weeks ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆49Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆90Updated last month
- ☆32Updated 2 years ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆28Updated 2 years ago