sun-heqi / MultiPPIMILinks
A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
☆14Updated last year
Alternatives and similar repositories for MultiPPIMI
Users that are interested in MultiPPIMI are comparing it to the libraries listed below
Sorting:
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆33Updated last year
- ☆77Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆82Updated 3 weeks ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆42Updated 4 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Fragment-based Molecular Expansion☆24Updated last year
- ☆40Updated 7 months ago
- ☆51Updated 7 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆28Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 10 months ago
- ☆35Updated 2 years ago
- ☆38Updated 4 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆58Updated last year
- ☆69Updated last year
- ☆51Updated 5 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- ☆28Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆52Updated 5 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated last week
- Diffusion model based protein-ligand flexible docking method☆114Updated 11 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last week
- Predicting protein-ligand binding sites using deep convolutional neural network☆51Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 3 months ago