HannesStark / EquiBindLinks
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
☆512Updated 5 months ago
Alternatives and similar repositories for EquiBind
Users that are interested in EquiBind are comparing it to the libraries listed below
Sorting:
- A Euclidean diffusion model for structure-based drug design.☆439Updated last month
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆244Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆672Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆465Updated 6 months ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆288Updated 2 years ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆549Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆345Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆303Updated last year
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆338Updated 2 years ago
- Awesome papers related to generative molecular modeling and design.☆329Updated 2 weeks ago
- An all-atom protein structure dataset for machine learning.☆355Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆326Updated last year
- ☆214Updated 2 years ago
- Protein hallucination and inpainting with RoseTTAFold☆263Updated 2 years ago
- Deep generative models of 3D grids for structure-based drug discovery☆231Updated 2 years ago
- Benchmarks for generative chemistry☆467Updated last year
- ATOM3D: tasks on molecules in three dimensions☆311Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆316Updated 9 months ago
- ☆323Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆250Updated 3 months ago
- ☆212Updated 10 months ago
- Generative Models for Graph-Based Protein Design☆278Updated 4 years ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆366Updated last year
- ☆359Updated 2 months ago
- Plausibility checks for generated molecule poses.☆309Updated 3 weeks ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆534Updated last week
- Public RFDiffusionAA repo☆422Updated last year
- A deep learning framework for molecular docking☆746Updated 3 weeks ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆211Updated 2 months ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆211Updated 3 years ago