octavian-ganea / equidock_publicLinks
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
☆254Updated 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:
- ☆232Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆314Updated last month
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆225Updated 2 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆158Updated 4 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆317Updated 2 months ago
- Protein hallucination and inpainting with RoseTTAFold☆275Updated 2 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆352Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆282Updated 5 years ago
- Diffusion-based all-atom protein generative model.☆228Updated 4 months ago
- Protein-ligand structure prediction☆235Updated 4 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆267Updated 3 weeks ago
- trRosetta for protein design☆183Updated 4 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆263Updated 8 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆349Updated last month
- ☆137Updated 6 months ago
- ☆129Updated 3 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆378Updated 2 years ago
- ☆229Updated 3 weeks ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆277Updated last week
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆222Updated 7 months ago
- Masif seed paper repository☆168Updated 3 months ago
- A Euclidean diffusion model for structure-based drug design.☆480Updated 6 months ago
- A package to predict protein inter-residue geometries from sequence data☆220Updated 4 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆530Updated 10 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆143Updated last year
- ☆210Updated last year
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆126Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆324Updated last year
- ☆108Updated 2 years ago