octavian-ganea / equidock_publicLinks
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
☆249Updated 2 years ago
Alternatives and similar repositories for equidock_public
Users that are interested in equidock_public are comparing it to the libraries listed below
Sorting:
- ☆225Updated 2 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆154Updated 4 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆300Updated 2 years ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆252Updated 3 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆218Updated last year
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆347Updated 2 years ago
- ☆216Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆308Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆253Updated 5 months ago
- Protein-ligand structure prediction☆227Updated 2 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- Diffusion-based all-atom protein generative model.☆220Updated last month
- Protein hallucination and inpainting with RoseTTAFold☆268Updated 2 years ago
- trRosetta for protein design☆182Updated 4 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆346Updated last year
- ☆133Updated 3 months ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆518Updated 7 months ago
- ☆130Updated 3 years ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆216Updated 4 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆168Updated last month
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆135Updated 10 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆266Updated last year
- ☆204Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆354Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆326Updated last month
- A Euclidean diffusion model for structure-based drug design.☆453Updated 3 months ago
- Open source code for TankBind. Galixir Tenchnologies☆166Updated last year
- Plausibility checks for generated molecule poses.☆323Updated last month
- Protein structure datasets for machine learning.☆112Updated 5 months ago