jingraham / neurips19-graph-protein-designLinks
Generative Models for Graph-Based Protein Design
☆283Updated 5 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
Sorting:
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆315Updated 2 months ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆254Updated 2 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆161Updated 4 years ago
- ☆130Updated 3 years ago
- ☆233Updated 2 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆352Updated 2 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆221Updated 3 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆264Updated 8 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆226Updated 2 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆152Updated last year
- Protein hallucination and inpainting with RoseTTAFold☆276Updated 2 years ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆311Updated 7 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆381Updated 2 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆200Updated 2 years ago
- ☆212Updated last year
- ATOM3D: tasks on molecules in three dimensions☆317Updated 2 years ago
- trRosetta for protein design☆183Updated 4 years ago
- A Euclidean diffusion model for structure-based drug design.☆483Updated 6 months ago
- open source repository☆143Updated 2 years ago
- ☆137Updated 7 months ago
- Open source code for TankBind. Galixir Tenchnologies☆172Updated 2 years ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆110Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆233Updated 2 years ago
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆108Updated 4 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆224Updated 7 months ago
- Diffusion-based all-atom protein generative model.☆228Updated 4 months ago
- ☆108Updated 2 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆351Updated 3 years ago
- ☆255Updated last year
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 5 years ago