drorlab / gvp-pytorchLinks
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
☆288Updated 2 years ago
Alternatives and similar repositories for gvp-pytorch
Users that are interested in gvp-pytorch are comparing it to the libraries listed below
Sorting:
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆338Updated 2 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆326Updated last year
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆244Updated last year
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆298Updated last month
- ☆214Updated 2 years ago
- Generative Models for Graph-Based Protein Design☆278Updated 4 years ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆148Updated 4 years ago
- ☆198Updated 10 months ago
- A Euclidean diffusion model for structure-based drug design.☆439Updated last month
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆282Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆250Updated 3 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆212Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆347Updated last year
- ☆129Updated 2 years ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆261Updated last year
- Diffusion-based all-atom protein generative model.☆210Updated 5 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆303Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆193Updated 3 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆211Updated 2 months ago
- Open source code for TankBind. Galixir Tenchnologies☆161Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆240Updated last month
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆192Updated 2 years 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
- ☆212Updated 10 months ago
- Plausibility checks for generated molecule poses.☆309Updated 3 weeks ago
- Protein hallucination and inpainting with RoseTTAFold☆263Updated 2 years ago
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆233Updated last week
- ☆106Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆230Updated 3 years ago