HannesStark / EquiBindLinks
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
☆535Updated 11 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.☆485Updated 7 months ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆254Updated 2 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆728Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆512Updated 3 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆353Updated 2 years ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆562Updated 2 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆322Updated 4 months ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆317Updated 2 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆371Updated last year
- Deep generative models of 3D grids for structure-based drug discovery☆234Updated 2 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆385Updated 2 years ago
- Protein hallucination and inpainting with RoseTTAFold☆279Updated 2 years ago
- Awesome papers related to generative molecular modeling and design.☆338Updated 6 months ago
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆265Updated 9 months ago
- ☆240Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆326Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆364Updated 3 months ago
- Graph neural networks for molecular design.☆378Updated 2 years ago
- Public RFDiffusionAA repo☆463Updated last year
- Benchmarks for generative chemistry☆495Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆474Updated last week
- An all-atom protein structure dataset for machine learning.☆359Updated last year
- ☆367Updated 8 months ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆403Updated 2 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Updated 2 years ago
- A deep learning framework for molecular docking☆855Updated last month
- Plausibility checks for generated molecule poses.☆354Updated this week
- ☆235Updated 2 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆386Updated last week
- Generative Models for Graph-Based Protein Design☆284Updated 5 years ago