jingraham / neurips19-graph-protein-design
Generative Models for Graph-Based Protein Design
☆271Updated 4 years ago
Alternatives and similar repositories for neurips19-graph-protein-design:
Users that are interested in neurips19-graph-protein-design are comparing it to the libraries listed below
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆268Updated 2 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆237Updated last year
- ☆200Updated last year
- ☆128Updated 2 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆311Updated last year
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆137Updated 3 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆142Updated 8 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆288Updated last year
- Protein hallucination and inpainting with RoseTTAFold☆253Updated last year
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆187Updated 2 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆231Updated last week
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆202Updated last year
- ☆178Updated 6 months ago
- Protein Interface Prediction using Graph Convolutional Networks☆92Updated 4 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆204Updated 2 years ago
- trRosetta for protein design☆177Updated 3 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆97Updated 5 months ago
- Protein-ligand structure prediction☆212Updated 7 months ago
- Diffusion-based all-atom protein generative model.☆183Updated last month
- ☆121Updated last year
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆98Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆398Updated last month
- Open source code for TankBind. Galixir Tenchnologies☆153Updated last year
- a novel DTA predition method using graph neural network☆73Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)☆193Updated 6 months ago
- A PyTorch implementation of GCN with mutual attention for protein-protein interaction prediction☆60Updated 3 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆228Updated 10 months ago
- ☆105Updated last year
- Trained caffe models☆86Updated last year
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆304Updated 4 months ago