DeepGraphLearning / GearNetLinks
GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
☆299Updated 3 months ago
Alternatives and similar repositories for GearNet
Users that are interested in GearNet are comparing it to the libraries listed below
Sorting:
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆298Updated 2 years ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆253Updated 5 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆347Updated 2 years ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆216Updated 4 months ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- ☆202Updated last year
- ☆225Updated 2 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆346Updated last year
- The official implementation of the ICLR'23 paper PiFold: Toward effective and efficient protein inverse folding.☆178Updated 2 years ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆196Updated 5 months ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆249Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆290Updated last year
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆153Updated 4 years ago
- A Euclidean diffusion model for structure-based drug design.☆453Updated 3 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆218Updated last year
- Awesome papers related to generative molecular modeling and design.☆336Updated 2 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆354Updated last year
- The official implementation of the NeurIPS'23 paper ProteinInvBench: Benchmarking Protein Design on Diverse Tasks, Models, and Metrics☆189Updated last year
- [ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts☆98Updated last year
- ALL Molecular ML papers from ICLR'25.☆39Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆125Updated last month
- ☆130Updated 3 years ago
- Diffusion-based all-atom protein generative model.☆220Updated last month
- Official repository for the ProteinGym benchmarks☆352Updated 2 months ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆198Updated 3 years ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆239Updated 3 months ago
- ☆142Updated 2 months ago
- Protein structure datasets for machine learning.☆112Updated 5 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆481Updated 8 months ago