igashov / DiffLinkerLinks
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
☆342Updated last year
Alternatives and similar repositories for DiffLinker
Users that are interested in DiffLinker are comparing it to the libraries listed below
Sorting:
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆315Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆210Updated last month
- A Euclidean diffusion model for structure-based drug design.☆430Updated 2 weeks ago
- GEOM: Energy-annotated molecular conformations☆228Updated 3 years ago
- Awesome papers related to generative molecular modeling and design.☆327Updated 6 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆276Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆264Updated last year
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆191Updated 2 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆286Updated 2 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆244Updated last year
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆210Updated last year
- ☆208Updated 10 months ago
- Plausibility checks for generated molecule poses.☆300Updated 2 weeks ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆373Updated 2 years ago
- ☆161Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆233Updated last month
- Fast protein backbone generation with SE(3) flow matching.☆270Updated 11 months ago
- ☆213Updated 2 years ago
- ☆156Updated 2 years ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆173Updated 2 years ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆158Updated 3 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆232Updated 2 years ago
- ☆254Updated 3 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆333Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆118Updated 7 months ago
- Trained caffe models☆93Updated last year
- ATOM3D: tasks on molecules in three dimensions☆311Updated 2 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆455Updated 6 months ago
- Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation☆303Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆252Updated 2 years ago