octavian-ganea / equidock_publicLinks
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
☆244Updated last year
Alternatives and similar repositories for equidock_public
Users that are interested in equidock_public are comparing it to the libraries listed below
Sorting:
- ☆214Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆288Updated 2 years ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆212Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆303Updated last year
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆148Updated 4 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆338Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆278Updated 4 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆250Updated 3 months ago
- ☆212Updated 10 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆240Updated last month
- Protein-ligand structure prediction☆222Updated this week
- Diffusion-based all-atom protein generative model.☆210Updated 5 months ago
- trRosetta for protein design☆182Updated 4 years ago
- Protein hallucination and inpainting with RoseTTAFold☆263Updated 2 years ago
- ☆129Updated 2 years ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆311Updated 6 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆261Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆326Updated last year
- ☆198Updated 10 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆347Updated last year
- ☆130Updated last month
- A Euclidean diffusion model for structure-based drug design.☆439Updated last month
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆131Updated 8 months ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆511Updated 5 months ago
- Generative Language Modeling for Antibody Design☆159Updated 10 months ago
- Open source code for TankBind. Galixir Tenchnologies☆161Updated last year
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆316Updated 9 months ago
- Plausibility checks for generated molecule poses.☆309Updated 3 weeks ago
- Deep generative models of 3D grids for structure-based drug discovery☆231Updated 2 years ago
- open source repository☆139Updated last year